# generated using pymatgen
data_Cu2NiIr3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86234901
_cell_length_b   6.86234963
_cell_length_c   6.86234865
_cell_angle_alpha   61.20780947
_cell_angle_beta   61.20780641
_cell_angle_gamma   61.20780715
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2NiIr3S8
_chemical_formula_sum   'Cu2 Ni1 Ir3 S8'
_cell_volume   234.71701165
_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  0.00216527  0.00216527  0.00216527  1.0
  Cu  Cu1  1  0.24783473  0.24783473  0.24783473  1.0
  Ni  Ni2  1  0.62500000  0.62500000  0.62500000  1.0
  Ir  Ir3  1  0.62500000  0.62500000  0.12500000  1.0
  Ir  Ir4  1  0.12500000  0.62500000  0.62500000  1.0
  Ir  Ir5  1  0.62500000  0.12500000  0.62500000  1.0
  S  S6  1  0.38784759  0.38784759  0.84457271  1.0
  S  S7  1  0.38471284  0.38471284  0.38471284  1.0
  S  S8  1  0.86528716  0.86528716  0.86528716  1.0
  S  S9  1  0.86215241  0.86215241  0.40542729  1.0
  S  S10  1  0.38784759  0.84457271  0.38784759  1.0
  S  S11  1  0.84457271  0.38784759  0.38784759  1.0
  S  S12  1  0.40542729  0.86215241  0.86215241  1.0
  S  S13  1  0.86215241  0.40542729  0.86215241  1.0