# generated using pymatgen
data_ThNi3Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04316811
_cell_length_b   5.28445138
_cell_length_c   4.02317031
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.59568095
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNi3Ir2
_chemical_formula_sum   'Th1 Ni3 Ir2'
_cell_volume   91.32554841
_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  0.68594394  0.34297097  0.00000000  1.0
  Ni  Ni2  1  0.31405606  0.65702903  0.00000000  1.0
  Ni  Ni3  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir4  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir5  1  0.50000000  0.00000000  0.50000000  1.0