# generated using pymatgen
data_Co8IrS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93002635
_cell_length_b   6.93002610
_cell_length_c   6.93002676
_cell_angle_alpha   59.99999688
_cell_angle_beta   59.99999805
_cell_angle_gamma   59.99999485
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co8IrS8
_chemical_formula_sum   'Co8 Ir1 S8'
_cell_volume   235.33668739
_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  0.62104221  0.12631960  0.12631960  1.0
  Co  Co1  1  0.12631960  0.62104221  0.12631960  1.0
  Co  Co2  1  0.12631960  0.12631960  0.62104221  1.0
  Co  Co3  1  0.12631960  0.12631960  0.12631960  1.0
  Co  Co4  1  0.37895779  0.87368040  0.87368040  1.0
  Co  Co5  1  0.87368040  0.37895779  0.87368040  1.0
  Co  Co6  1  0.87368040  0.87368040  0.37895779  1.0
  Co  Co7  1  0.87368040  0.87368040  0.87368040  1.0
  Ir  Ir8  1  0.50000000  0.50000000  0.50000000  1.0
  S  S9  1  0.25000000  0.25000000  0.25000000  1.0
  S  S10  1  0.75000000  0.75000000  0.75000000  1.0
  S  S11  1  0.74321358  0.25678642  0.25678642  1.0
  S  S12  1  0.74321358  0.25678642  0.74321358  1.0
  S  S13  1  0.74321358  0.74321358  0.25678642  1.0
  S  S14  1  0.25678642  0.74321358  0.74321358  1.0
  S  S15  1  0.25678642  0.74321358  0.25678642  1.0
  S  S16  1  0.25678642  0.25678642  0.74321358  1.0