# generated using pymatgen
data_Tb3ThP7Ir8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95032968
_cell_length_b   12.67803396
_cell_length_c   13.05437481
_cell_angle_alpha   81.14280241
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3ThP7Ir8
_chemical_formula_sum   'Tb6 Th2 P14 Ir16'
_cell_volume   645.99820845
_cell_formula_units_Z   2
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
  Tb  Tb0  1  0.75000000  0.78902604  0.56205061  1.0
  Tb  Tb1  1  0.25000000  0.20781384  0.44004205  1.0
  Tb  Tb2  1  0.75000000  0.47918517  0.70815594  1.0
  Tb  Tb3  1  0.25000000  0.52021574  0.29354046  1.0
  Tb  Tb4  1  0.75000000  0.72005519  0.89961463  1.0
  Tb  Tb5  1  0.25000000  0.10380432  0.79153481  1.0
  Th  Th6  1  0.75000000  0.89235239  0.21095975  1.0
  Th  Th7  1  0.25000000  0.28391891  0.10359099  1.0
  P  P8  1  0.25000000  0.90699312  0.41292110  1.0
  P  P9  1  0.75000000  0.47408578  0.12862604  1.0
  P  P10  1  0.25000000  0.53041166  0.87102920  1.0
  P  P11  1  0.75000000  0.09158479  0.58952856  1.0
  P  P12  1  0.25000000  0.74504852  0.08049733  1.0
  P  P13  1  0.75000000  0.25741443  0.91506353  1.0
  P  P14  1  0.75000000  0.15722543  0.28435640  1.0
  P  P15  1  0.25000000  0.84346267  0.71709569  1.0
  P  P16  1  0.25000000  0.05438173  0.09658090  1.0
  P  P17  1  0.75000000  0.94720733  0.89798641  1.0
  P  P18  1  0.25000000  0.31251552  0.68860187  1.0
  P  P19  1  0.75000000  0.68141627  0.31329860  1.0
  P  P20  1  0.25000000  0.60736339  0.56672245  1.0
  P  P21  1  0.75000000  0.39058101  0.43637396  1.0
  Ir  Ir22  1  0.25000000  0.98944300  0.57458512  1.0
  Ir  Ir23  1  0.75000000  0.00876755  0.42210449  1.0
  Ir  Ir24  1  0.25000000  0.66308988  0.72916994  1.0
  Ir  Ir25  1  0.75000000  0.33896267  0.27063228  1.0
  Ir  Ir26  1  0.25000000  0.55205782  0.04816901  1.0
  Ir  Ir27  1  0.75000000  0.44820154  0.95240569  1.0
  Ir  Ir28  1  0.25000000  0.06196730  0.27157830  1.0
  Ir  Ir29  1  0.75000000  0.93966302  0.72527885  1.0
  Ir  Ir30  1  0.25000000  0.42198692  0.52529670  1.0
  Ir  Ir31  1  0.75000000  0.57626091  0.47684636  1.0
  Ir  Ir32  1  0.25000000  0.91804398  0.99575026  1.0
  Ir  Ir33  1  0.75000000  0.08510363  0.99904882  1.0
  Ir  Ir34  1  0.25000000  0.72911045  0.39689841  1.0
  Ir  Ir35  1  0.75000000  0.26972841  0.60481480  1.0
  Ir  Ir36  1  0.25000000  0.34186772  0.85829152  1.0
  Ir  Ir37  1  0.75000000  0.65968293  0.14096117  1.0