# generated using pymatgen
data_ThNi2Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25260393
_cell_length_b   5.25260441
_cell_length_c   4.03474314
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000315
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNi2Ir3
_chemical_formula_sum   'Th1 Ni2 Ir3'
_cell_volume   96.40417862
_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  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.66666700  0.33333300  0.00000000  1.0
  Ni  Ni2  1  0.33333300  0.66666700  0.00000000  1.0
  Ir  Ir3  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir4  1  0.50000000  0.00000000  0.50000000  1.0
  Ir  Ir5  1  0.00000000  0.50000000  0.50000000  1.0