# generated using pymatgen
data_ThPIrN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01993293
_cell_length_b   4.01993293
_cell_length_c   8.53423294
_cell_angle_alpha   89.99996892
_cell_angle_beta   90.00003108
_cell_angle_gamma   89.99998115
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThPIrN
_chemical_formula_sum   'Th2 P2 Ir2 N2'
_cell_volume   137.91201582
_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
  Th  Th0  1  0.99999973  0.49999927  0.13805863  1.0
  Th  Th1  1  0.49999927  0.99999973  0.86194137  1.0
  P  P2  1  0.49999952  0.99999948  0.35165291  1.0
  P  P3  1  0.99999948  0.49999952  0.64834709  1.0
  Ir  Ir4  1  0.99999943  0.99999943  0.50000000  1.0
  Ir  Ir5  1  0.49999957  0.49999957  0.50000000  1.0
  N  N6  1  0.99999955  0.99999955  0.00000000  1.0
  N  N7  1  0.49999945  0.49999945  0.00000000  1.0