# generated using pymatgen
data_Th2Zn3PIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07224515
_cell_length_b   4.07224515
_cell_length_c   10.81829206
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Zn3PIr4
_chemical_formula_sum   'Th2 Zn3 P1 Ir4'
_cell_volume   179.40169076
_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
  Th  Th0  1  0.00000000  0.50000000  0.25460042  1.0
  Th  Th1  1  0.50000000  0.00000000  0.75383146  1.0
  Zn  Zn2  1  0.00000000  0.00000000  0.00545548  1.0
  Zn  Zn3  1  0.50000000  0.50000000  0.00545548  1.0
  Zn  Zn4  1  0.00000000  0.50000000  0.62259349  1.0
  P  P5  1  0.50000000  0.00000000  0.37943936  1.0
  Ir  Ir6  1  0.00000000  0.00000000  0.48172162  1.0
  Ir  Ir7  1  0.50000000  0.50000000  0.48172162  1.0
  Ir  Ir8  1  0.00000000  0.50000000  0.85289987  1.0
  Ir  Ir9  1  0.50000000  0.00000000  0.16228120  1.0