# generated using pymatgen
data_Cu(IrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97610960
_cell_length_b   6.97610962
_cell_length_c   6.97610843
_cell_angle_alpha   60.00000084
_cell_angle_beta   60.00000076
_cell_angle_gamma   60.00000333
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu(IrS2)2
_chemical_formula_sum   'Cu2 Ir4 S8'
_cell_volume   240.06278047
_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  0.87500000  0.87500000  0.87500000  1.0
  Cu  Cu1  1  0.12500000  0.12500000  0.12500000  1.0
  Ir  Ir2  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir3  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir4  1  -0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir5  1  0.50000000  -0.00000000  0.50000000  1.0
  S  S6  1  0.74025749  0.74025749  0.74025749  1.0
  S  S7  1  0.25974251  0.25974251  0.72077147  1.0
  S  S8  1  0.25974251  0.72077147  0.25974251  1.0
  S  S9  1  0.72077147  0.25974251  0.25974251  1.0
  S  S10  1  0.74025749  0.27922853  0.74025749  1.0
  S  S11  1  0.27922853  0.74025749  0.74025749  1.0
  S  S12  1  0.25974251  0.25974251  0.25974251  1.0
  S  S13  1  0.74025749  0.74025749  0.27922853  1.0