# generated using pymatgen
data_Co3Ni3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60793671
_cell_length_b   6.60793671
_cell_length_c   6.60793611
_cell_angle_alpha   60.13669287
_cell_angle_beta   60.13669287
_cell_angle_gamma   60.13668539
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Ni3S8
_chemical_formula_sum   'Co3 Ni3 S8'
_cell_volume   204.65637278
_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  0.62469900  0.62469900  0.62469900  1.0
  Co  Co1  1  0.37530100  0.37530100  0.37530100  1.0
  Co  Co2  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni3  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni4  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.50000000  1.0
  S  S6  1  0.24416900  0.24416900  0.24416900  1.0
  S  S7  1  0.24100000  0.77017700  0.24100000  1.0
  S  S8  1  0.77017700  0.24100000  0.24100000  1.0
  S  S9  1  0.24100000  0.24100000  0.77017700  1.0
  S  S10  1  0.75583100  0.75583100  0.75583100  1.0
  S  S11  1  0.75900000  0.22982300  0.75900000  1.0
  S  S12  1  0.22982300  0.75900000  0.75900000  1.0
  S  S13  1  0.75900000  0.75900000  0.22982300  1.0