# generated using pymatgen
data_Co3Ni3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62158457
_cell_length_b   6.62158457
_cell_length_c   16.16933156
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Ni3S8
_chemical_formula_sum   'Co9 Ni9 S24'
_cell_volume   613.96916247
_cell_formula_units_Z   3
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  0.66666700  0.33333300  0.95803300  1
  Co  Co1  1  0.66666700  0.33333300  0.70863400  1
  Co  Co2  1  0.66666700  0.33333300  0.33333300  1
  Co  Co3  1  0.33333300  0.66666700  0.29136600  1
  Co  Co4  1  0.33333300  0.66666700  0.04196700  1
  Co  Co5  1  0.33333300  0.66666700  0.66666700  1
  Co  Co6  1  0.00000000  0.00000000  0.62469900  1
  Co  Co7  1  0.00000000  0.00000000  0.37530100  1
  Co  Co8  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni9  1  0.33333300  0.16666700  0.16666700  1
  Ni  Ni10  1  0.83333300  0.16666700  0.16666700  1
  Ni  Ni11  1  0.83333300  0.66666700  0.16666700  1
  Ni  Ni12  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni13  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni14  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni15  1  0.66666700  0.83333300  0.83333300  1
  Ni  Ni16  1  0.16666700  0.83333300  0.83333300  1
  Ni  Ni17  1  0.16666700  0.33333300  0.83333300  1
  S  S18  1  0.66666700  0.33333300  0.57750200  1
  S  S19  1  0.35278500  0.17639200  0.41739200  1
  S  S20  1  0.82360800  0.17639200  0.41739200  1
  S  S21  1  0.82360800  0.64721500  0.41739200  1
  S  S22  1  0.66666700  0.33333300  0.08916500  1
  S  S23  1  0.98054900  0.49027400  0.24927500  1
  S  S24  1  0.50972600  0.49027400  0.24927500  1
  S  S25  1  0.50972600  0.01945100  0.24927500  1
  S  S26  1  0.33333300  0.66666700  0.91083500  1
  S  S27  1  0.01945100  0.50972600  0.75072500  1
  S  S28  1  0.49027400  0.50972600  0.75072500  1
  S  S29  1  0.49027400  0.98054900  0.75072500  1
  S  S30  1  0.33333300  0.66666700  0.42249800  1
  S  S31  1  0.64721500  0.82360800  0.58260800  1
  S  S32  1  0.17639200  0.82360800  0.58260800  1
  S  S33  1  0.17639200  0.35278500  0.58260800  1
  S  S34  1  0.00000000  0.00000000  0.24416900  1
  S  S35  1  0.68611800  0.84305900  0.08405900  1
  S  S36  1  0.15694100  0.84305900  0.08405900  1
  S  S37  1  0.15694100  0.31388200  0.08405900  1
  S  S38  1  0.00000000  0.00000000  0.75583100  1
  S  S39  1  0.31388200  0.15694100  0.91594100  1
  S  S40  1  0.84305900  0.15694100  0.91594100  1
  S  S41  1  0.84305900  0.68611800  0.91594100  1
