# generated using pymatgen
data_CoNi5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66269102
_cell_length_b   6.66269102
_cell_length_c   6.66269102
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi5S8
_chemical_formula_sum   'Co1 Ni5 S8'
_cell_volume   209.13851611
_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  0.25000000  0.25000000  0.25000000  1.0
  Ni  Ni1  1  0.12566100  0.62478000  0.62478000  1.0
  Ni  Ni2  1  0.62478000  0.12566100  0.62478000  1.0
  Ni  Ni3  1  0.62478000  0.62478000  0.12566100  1.0
  Ni  Ni4  1  0.62478000  0.62478000  0.62478000  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1.0
  S  S6  1  0.39978400  0.86673900  0.86673900  1.0
  S  S7  1  0.86673900  0.39978400  0.86673900  1.0
  S  S8  1  0.86673900  0.86673900  0.39978400  1.0
  S  S9  1  0.86673900  0.86673900  0.86673900  1.0
  S  S10  1  0.85506100  0.38164600  0.38164600  1.0
  S  S11  1  0.38164600  0.85506100  0.38164600  1.0
  S  S12  1  0.38164600  0.38164600  0.85506100  1.0
  S  S13  1  0.38164600  0.38164600  0.38164600  1.0