# generated using pymatgen
data_Tb3Th5(P7Ir8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97256822
_cell_length_b   12.73536571
_cell_length_c   13.12248966
_cell_angle_alpha   81.55086232
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3Th5(P7Ir8)2
_chemical_formula_sum   'Tb3 Th5 P14 Ir16'
_cell_volume   656.68897391
_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
  Tb  Tb0  1  0.75000000  0.79175164  0.55967716  1.0
  Tb  Tb1  1  0.25000000  0.20725309  0.44095415  1.0
  Tb  Tb2  1  0.75000000  0.47984934  0.70839699  1.0
  Th  Th3  1  0.25000000  0.51710135  0.29105316  1.0
  Th  Th4  1  0.75000000  0.71646342  0.90010898  1.0
  Th  Th5  1  0.25000000  0.10725221  0.78955976  1.0
  Th  Th6  1  0.75000000  0.89349748  0.20890212  1.0
  Th  Th7  1  0.25000000  0.28189600  0.09891217  1.0
  P  P8  1  0.25000000  0.90789224  0.41308207  1.0
  P  P9  1  0.75000000  0.47044356  0.12512253  1.0
  P  P10  1  0.25000000  0.52844385  0.86850775  1.0
  P  P11  1  0.75000000  0.09211066  0.58817274  1.0
  P  P12  1  0.25000000  0.74663617  0.08356609  1.0
  P  P13  1  0.75000000  0.25432815  0.91608696  1.0
  P  P14  1  0.75000000  0.15650426  0.28511719  1.0
  P  P15  1  0.25000000  0.84376314  0.71539700  1.0
  P  P16  1  0.25000000  0.05529261  0.09835436  1.0
  P  P17  1  0.75000000  0.94467123  0.90079073  1.0
  P  P18  1  0.25000000  0.31826131  0.68792840  1.0
  P  P19  1  0.75000000  0.68484128  0.31510905  1.0
  P  P20  1  0.25000000  0.60813265  0.56597512  1.0
  P  P21  1  0.75000000  0.38778000  0.44023561  1.0
  Ir  Ir22  1  0.25000000  0.99018430  0.57595040  1.0
  Ir  Ir23  1  0.75000000  0.01032621  0.42387600  1.0
  Ir  Ir24  1  0.25000000  0.66342545  0.72747799  1.0
  Ir  Ir25  1  0.75000000  0.33788113  0.27250160  1.0
  Ir  Ir26  1  0.25000000  0.54886212  0.04869659  1.0
  Ir  Ir27  1  0.75000000  0.45321344  0.94781844  1.0
  Ir  Ir28  1  0.25000000  0.06100108  0.27407090  1.0
  Ir  Ir29  1  0.75000000  0.93926568  0.72541133  1.0
  Ir  Ir30  1  0.25000000  0.42352986  0.52645241  1.0
  Ir  Ir31  1  0.75000000  0.57725987  0.47728873  1.0
  Ir  Ir32  1  0.25000000  0.91818162  0.99779717  1.0
  Ir  Ir33  1  0.75000000  0.08239833  0.00061321  1.0
  Ir  Ir34  1  0.25000000  0.72917778  0.39798065  1.0
  Ir  Ir35  1  0.75000000  0.27044107  0.60348684  1.0
  Ir  Ir36  1  0.25000000  0.34074513  0.85930498  1.0
  Ir  Ir37  1  0.75000000  0.65994230  0.14026369  1.0