# generated using pymatgen
data_CuNi3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67612346
_cell_length_b   5.67612346
_cell_length_c   5.67612384
_cell_angle_alpha   90.44227132
_cell_angle_beta   90.44227132
_cell_angle_gamma   90.44226473
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNi3S8
_chemical_formula_sum   'Cu1 Ni3 S8'
_cell_volume   182.85907205
_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  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni2  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni3  1  0.50000000  0.50000000  0.00000000  1.0
  S  S4  1  0.39367200  0.39367200  0.39367200  1.0
  S  S5  1  0.59657000  0.89046000  0.10881300  1.0
  S  S6  1  0.10881300  0.59657000  0.89046000  1.0
  S  S7  1  0.89046000  0.10881300  0.59657000  1.0
  S  S8  1  0.60632800  0.60632800  0.60632800  1.0
  S  S9  1  0.40343000  0.10954000  0.89118700  1.0
  S  S10  1  0.89118700  0.40343000  0.10954000  1.0
  S  S11  1  0.10954000  0.89118700  0.40343000  1.0