extract data from a table in python

extract.py

# https://stackoverflow.com/questions/16036337/regular-expression-to-extract-data-from-a-table-in-python

def gen_regex(title, col_num, start_with_space=False):
    if start_with_space:
        r = f'{title}\n((?:(?:[\s]+[^\s]+[\s]+){{{col_num-1}}}[^\s]+\n)+)'
    else:
        r = f'{title}\n((?:(?:[^\s]+[\s]+){{{col_num-1}}}[^\s]+\n)+)'
    return r

test.py

import re


with open('test.txt', 'w') as f:
  s = f.read()
  
regex1 = gen_regex('ATOMIC_SPECIES', col_num=3, start_with_space=True)
pattern1 = re.compile(regex)
res_list1 = pattern.findall(s)
print(res_list1)

regex2 = gen_regex('ATOMIC_POSITIONS \(crystal\)', col_num=4)
pattern2 = re.compile(regex)
res_list2 = pattern.findall(s)
print(res_list2)
    

test.txt

&CONTROL
calculation='vc-relax'
title='Ag_core_13_thr'
prefix='Ag_core_13_thr'
verbosity='high'
restart_mode='from_scratch'
tprnfor=.true.
outdir='.'
pseudo_dir='/PARA/grid138/liunianhong/Pseudo'
tstress=.true.
forc_conv_thr=1.0d-4
etot_conv_thr=1.0d-7
/
&SYSTEM
ibrav = 0,
nat = 28,
ntyp = 2,
ecutwfc = 80.0 ,
ecutrho = 960.0 ,
nosym=.TRUE.,
input_DFT = 'PBE' ,
occupations = 'smearing' ,
degauss = 1.0d-4 ,
smearing = 'marzari-vanderbilt' ,
/
&ELECTRONS
electron_maxstep = 200,
conv_thr = 1.0d-7 ,
mixing_mode = 'plain' ,
mixing_beta = 0.3d0 ,
/
&IONS
ion_dynamics='bfgs'
/
&CELL
press_conv_thr = 0.5D0,
press = 0.D0,
cell_dynamics = 'bfgs',
cell_dofree= '2Dxy',
/

ATOMIC_SPECIES
 Ag  107.87   Ag.pbe-spn-rrkjus_psl.1.0.0.UPF
 Au  196.67   Au.pbe-spn-rrkjus_psl.1.0.0.UPF
CELL_PARAMETERS (angstrom)
   5.023250764   2.900444827   0.000000000
   5.023317586  -2.900714647   0.000000000
   0.000000000   0.000000000  50.000000000

ATOMIC_POSITIONS (crystal)
Ag       0.166342087   0.166239670   0.355560155
Ag       0.666410995   0.666104546   0.355499555
Ag       0.166411014   0.666104487   0.355499561
Ag       0.666342012   0.166239660   0.355560152
Ag       0.333132001   0.332885667   0.403788057
Ag       0.833131920   0.332885879   0.403788055
Ag       0.833347162   0.832460241   0.403580911
Ag       0.333347479   0.832460258   0.403580914
Ag       0.500177122  -0.000805369   0.451462818
Ag       0.500043058   0.499456656   0.451675040
Ag       0.000042887   0.499456624   0.451675039
Ag       0.000177106  -0.000805242   0.451462822
Ag       0.166665954   0.166667791   0.499999265
Au       0.666666380   0.666666915   0.499999436
Au       0.166666387   0.666666912   0.499999436
Ag       0.666665948   0.166667795   0.499999266
Ag       0.333155454   0.334140114   0.548536742
Ag       0.833155432   0.334140235   0.548536746
Ag       0.833290054   0.833877144   0.548324243
Ag       0.333290224   0.833877168   0.548324244
Ag       0.500201452   0.000447638   0.596212189
Ag       0.499985888   0.500873894   0.596419553
Ag      -0.000014419   0.500873875   0.596419551
Ag       0.000201381   0.000447847   0.596212186
Ag       0.166991617   0.167093623   0.644440642
Ag       0.666922630   0.667228900   0.644501179
Ag       0.166922614   0.667228952   0.644501174
Ag       0.666991683   0.167093627   0.644440644

K_POINTS automatic
13 13 1 0 0 0