# generated using pymatgen
data_Cu(IrS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75654964
_cell_length_b   5.67368684
_cell_length_c   5.67053285
_cell_angle_alpha   90.10878582
_cell_angle_beta   91.08168938
_cell_angle_gamma   91.87372028
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu(IrS4)2
_chemical_formula_sum   'Cu1 Ir2 S8'
_cell_volume   185.07188069
_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
  Cu  Cu0  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir1  1  0.50000000  0.00000000  0.50000000  1.0
  Ir  Ir2  1  0.50000000  0.50000000  0.00000000  1.0
  S  S3  1  0.39550460  0.88813638  0.10580545  1.0
  S  S4  1  0.10253016  0.39670203  0.89799343  1.0
  S  S5  1  0.89285703  0.09907605  0.39652882  1.0
  S  S6  1  0.60449540  0.11186362  0.89419455  1.0
  S  S7  1  0.89746984  0.60329797  0.10200657  1.0
  S  S8  1  0.10714297  0.90092395  0.60347118  1.0
  S  S9  1  0.59989676  0.61531247  0.61382139  1.0
  S  S10  1  0.40010324  0.38468753  0.38617861  1.0