# generated using pymatgen
data_CoCuNiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71774209
_cell_length_b   6.71774209
_cell_length_c   6.71774209
_cell_angle_alpha   120.27411138
_cell_angle_beta   119.62714154
_cell_angle_gamma   90.08645058
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuNiS4
_chemical_formula_sum   'Co2 Cu2 Ni2 S8'
_cell_volume   214.51672455
_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
  Co  Co0  1  0.50000000  0.00000000  0.00000000  1.0
  Co  Co1  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu2  1  0.87652200  0.62652200  0.25000000  1.0
  Cu  Cu3  1  0.12347800  0.37347800  0.75000000  1.0
  Ni  Ni4  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1.0
  S  S6  1  0.73553200  0.75908500  0.52355300  1.0
  S  S7  1  0.73553200  0.21197900  0.97644700  1.0
  S  S8  1  0.73253000  0.76032200  0.97220800  1.0
  S  S9  1  0.28811400  0.76032200  0.52779200  1.0
  S  S10  1  0.26446800  0.24091500  0.47644700  1.0
  S  S11  1  0.26446800  0.78802100  0.02355300  1.0
  S  S12  1  0.26747000  0.23967800  0.02779200  1.0
  S  S13  1  0.71188600  0.23967800  0.47220800  1.0