# generated using pymatgen
data_ThNiIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26666003
_cell_length_b   5.26666024
_cell_length_c   4.23554907
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000487
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNiIr4
_chemical_formula_sum   'Th1 Ni1 Ir4'
_cell_volume   101.74449376
_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  0.33333300  0.66666700  0.00000000  1.0
  Ir  Ir2  1  0.66666700  0.33333300  0.00000000  1.0
  Ir  Ir3  1  0.49727115  0.99454230  0.50000000  1.0
  Ir  Ir4  1  0.49727115  0.50272885  0.50000000  1.0
  Ir  Ir5  1  0.00545770  0.50272885  0.50000000  1.0