# generated using pymatgen
data_CuNiIrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85859044
_cell_length_b   6.81204318
_cell_length_c   6.85859083
_cell_angle_alpha   60.22425420
_cell_angle_beta   60.97421934
_cell_angle_gamma   60.22425093
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNiIrS4
_chemical_formula_sum   'Cu2 Ni2 Ir2 S8'
_cell_volume   228.98851360
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.00291281  0.99708719  0.00291281  1.0
  Cu  Cu1  1  0.24708719  0.25291281  0.24708719  1.0
  Ni  Ni2  1  0.62500000  0.62500000  0.62500000  1.0
  Ni  Ni3  1  0.62500000  0.12500000  0.62500000  1.0
  Ir  Ir4  1  0.62500000  0.62500000  0.12500000  1.0
  Ir  Ir5  1  0.12500000  0.62500000  0.62500000  1.0
  S  S6  1  0.39578381  0.38145097  0.84131626  1.0
  S  S7  1  0.38764180  0.38036010  0.38764180  1.0
  S  S8  1  0.86235820  0.86963990  0.86235820  1.0
  S  S9  1  0.85421619  0.86854903  0.40868374  1.0
  S  S10  1  0.38764180  0.84435730  0.38764180  1.0
  S  S11  1  0.84131626  0.38145097  0.39578381  1.0
  S  S12  1  0.40868374  0.86854903  0.85421619  1.0
  S  S13  1  0.86235820  0.40564270  0.86235820  1.0