# generated using pymatgen
data_ThCu3NiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21111218
_cell_length_b   5.21111245
_cell_length_c   4.05880798
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   124.80087978
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThCu3NiIr
_chemical_formula_sum   'Th1 Cu3 Ni1 Ir1'
_cell_volume   90.50588443
_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  0.00186836  0.99813164  0.00000000  1.0
  Cu  Cu1  1  0.67923736  0.32076264  0.00000000  1.0
  Cu  Cu2  1  0.49683424  0.00054858  0.50000000  1.0
  Cu  Cu3  1  0.99945142  0.50316576  0.50000000  1.0
  Ni  Ni4  1  0.32550715  0.67449285  0.00000000  1.0
  Ir  Ir5  1  0.49710047  0.50289953  0.50000000  1.0