# generated using pymatgen
data_Co3Cu2NiS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65870031
_cell_length_b   6.65870020
_cell_length_c   6.70601483
_cell_angle_alpha   60.23312225
_cell_angle_beta   60.23312554
_cell_angle_gamma   59.99999321
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Cu2NiS8
_chemical_formula_sum   'Co3 Cu2 Ni1 S8'
_cell_volume   210.98412342
_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
  Co  Co0  1  0.12500000  0.62500000  0.12500000  1.0
  Co  Co1  1  0.12500000  0.12500000  0.12500000  1.0
  Co  Co2  1  0.62500000  0.12500000  0.12500000  1.0
  Cu  Cu3  1  0.75089105  0.75089105  0.74732586  1.0
  Cu  Cu4  1  0.49910895  0.49910895  0.50267414  1.0
  Ni  Ni5  1  0.12500000  0.12500000  0.62500000  1.0
  S  S6  1  0.88550889  0.33825432  0.89072791  1.0
  S  S7  1  0.36288146  0.36288146  0.91135463  1.0
  S  S8  1  0.36449111  0.36449111  0.35927209  1.0
  S  S9  1  0.91174568  0.36449111  0.35927209  1.0
  S  S10  1  0.88550889  0.88550889  0.89072791  1.0
  S  S11  1  0.33825432  0.88550889  0.89072791  1.0
  S  S12  1  0.36449111  0.91174568  0.35927209  1.0
  S  S13  1  0.88711854  0.88711854  0.33864537  1.0