# generated using pymatgen
data_Ta3Ti21P8H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00022592
_cell_length_b   9.94884678
_cell_length_c   9.95856438
_cell_angle_alpha   89.96870354
_cell_angle_beta   90.02313965
_cell_angle_gamma   89.99135121
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ti21P8H
_chemical_formula_sum   'Ta3 Ti21 P8 H1'
_cell_volume   495.40341975
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ta  Ta0  1  0.78765035  0.39379602  0.91390345  1.0
  Ta  Ta1  1  0.78577883  0.60596801  0.08513974  1.0
  Ta  Ta2  1  0.28679722  0.58437749  0.89542682  1.0
  Ti  Ti3  1  0.28628101  0.41522717  0.10728500  1.0
  Ti  Ti4  1  0.22088328  0.10927203  0.58567142  1.0
  Ti  Ti5  1  0.22083160  0.89063136  0.41385521  1.0
  Ti  Ti6  1  0.71297037  0.91278530  0.60962004  1.0
  Ti  Ti7  1  0.71346325  0.08693072  0.39050757  1.0
  Ti  Ti8  1  0.97314646  0.02885847  0.86026649  1.0
  Ti  Ti9  1  0.97311925  0.97140423  0.13979636  1.0
  Ti  Ti10  1  0.47429744  0.64118025  0.52819423  1.0
  Ti  Ti11  1  0.47332730  0.35876416  0.47167815  1.0
  Ti  Ti12  1  0.02969275  0.47238138  0.64002061  1.0
  Ti  Ti13  1  0.02956256  0.52833270  0.35991652  1.0
  Ti  Ti14  1  0.52852735  0.85952162  0.97141607  1.0
  Ti  Ti15  1  0.53145585  0.14020972  0.02858110  1.0
  Ti  Ti16  1  0.26749469  0.28403846  0.81940379  1.0
  Ti  Ti17  1  0.26582589  0.71579764  0.18027349  1.0
  Ti  Ti18  1  0.76538183  0.68056964  0.78381316  1.0
  Ti  Ti19  1  0.76503205  0.31997573  0.21574245  1.0
  Ti  Ti20  1  0.74237318  0.21716212  0.68303274  1.0
  Ti  Ti21  1  0.74139897  0.78294757  0.31722168  1.0
  Ti  Ti22  1  0.24018002  0.81626545  0.71801991  1.0
  Ti  Ti23  1  0.23975784  0.18265698  0.28221363  1.0
  P  P24  1  0.46719212  0.03955668  0.79345119  1.0
  P  P25  1  0.46718821  0.96027495  0.20643373  1.0
  P  P26  1  0.96747549  0.70649908  0.53935441  1.0
  P  P27  1  0.96734331  0.29391053  0.45970071  1.0
  P  P28  1  0.53569402  0.46025927  0.70337692  1.0
  P  P29  1  0.53410428  0.53913565  0.29572344  1.0
  P  P30  1  0.03551744  0.79615328  0.96018506  1.0
  P  P31  1  0.03941843  0.20541210  0.04082628  1.0
  H  H32  1  0.96643535  0.99974622  0.49994863  1.0