# generated using pymatgen
data_CoNi5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.42246748
_cell_length_b   9.42246748
_cell_length_c   9.42246748
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi5S8
_chemical_formula_sum   'Co4 Ni20 S32'
_cell_volume   836.55392595
_cell_formula_units_Z   4
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  0.75000000  0.75000000  0.25000000  1
  Co  Co1  1  0.75000000  0.25000000  0.75000000  1
  Co  Co2  1  0.25000000  0.75000000  0.75000000  1
  Co  Co3  1  0.25000000  0.25000000  0.25000000  1
  Ni  Ni4  1  0.12478000  0.87522000  0.37522000  1
  Ni  Ni5  1  0.87522000  0.12478000  0.37522000  1
  Ni  Ni6  1  0.87522000  0.87522000  0.62478000  1
  Ni  Ni7  1  0.12478000  0.12478000  0.62478000  1
  Ni  Ni8  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni9  1  0.12478000  0.37522000  0.87522000  1
  Ni  Ni10  1  0.87522000  0.62478000  0.87522000  1
  Ni  Ni11  1  0.87522000  0.37522000  0.12478000  1
  Ni  Ni12  1  0.12478000  0.62478000  0.12478000  1
  Ni  Ni13  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni14  1  0.62478000  0.87522000  0.87522000  1
  Ni  Ni15  1  0.37522000  0.12478000  0.87522000  1
  Ni  Ni16  1  0.37522000  0.87522000  0.12478000  1
  Ni  Ni17  1  0.62478000  0.12478000  0.12478000  1
  Ni  Ni18  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni19  1  0.62478000  0.37522000  0.37522000  1
  Ni  Ni20  1  0.37522000  0.62478000  0.37522000  1
  Ni  Ni21  1  0.37522000  0.37522000  0.62478000  1
  Ni  Ni22  1  0.62478000  0.62478000  0.62478000  1
  Ni  Ni23  1  0.00000000  0.50000000  0.50000000  1
  S  S24  1  0.36673900  0.63326100  0.13326100  1
  S  S25  1  0.13326100  0.86673900  0.13326100  1
  S  S26  1  0.13326100  0.63326100  0.36673900  1
  S  S27  1  0.36673900  0.86673900  0.36673900  1
  S  S28  1  0.88164600  0.11835400  0.61835400  1
  S  S29  1  0.11835400  0.88164600  0.61835400  1
  S  S30  1  0.11835400  0.11835400  0.38164600  1
  S  S31  1  0.88164600  0.88164600  0.38164600  1
  S  S32  1  0.36673900  0.13326100  0.63326100  1
  S  S33  1  0.13326100  0.36673900  0.63326100  1
  S  S34  1  0.13326100  0.13326100  0.86673900  1
  S  S35  1  0.36673900  0.36673900  0.86673900  1
  S  S36  1  0.88164600  0.61835400  0.11835400  1
  S  S37  1  0.11835400  0.38164600  0.11835400  1
  S  S38  1  0.11835400  0.61835400  0.88164600  1
  S  S39  1  0.88164600  0.38164600  0.88164600  1
  S  S40  1  0.86673900  0.63326100  0.63326100  1
  S  S41  1  0.63326100  0.86673900  0.63326100  1
  S  S42  1  0.63326100  0.63326100  0.86673900  1
  S  S43  1  0.86673900  0.86673900  0.86673900  1
  S  S44  1  0.38164600  0.11835400  0.11835400  1
  S  S45  1  0.61835400  0.88164600  0.11835400  1
  S  S46  1  0.61835400  0.11835400  0.88164600  1
  S  S47  1  0.38164600  0.88164600  0.88164600  1
  S  S48  1  0.86673900  0.13326100  0.13326100  1
  S  S49  1  0.63326100  0.36673900  0.13326100  1
  S  S50  1  0.63326100  0.13326100  0.36673900  1
  S  S51  1  0.86673900  0.36673900  0.36673900  1
  S  S52  1  0.38164600  0.61835400  0.61835400  1
  S  S53  1  0.61835400  0.38164600  0.61835400  1
  S  S54  1  0.61835400  0.61835400  0.38164600  1
  S  S55  1  0.38164600  0.38164600  0.38164600  1
