# generated using pymatgen
data_Co7NiIrS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94898111
_cell_length_b   6.93682348
_cell_length_c   6.93682308
_cell_angle_alpha   60.00000652
_cell_angle_beta   60.05786448
_cell_angle_gamma   60.05787251
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co7NiIrS8
_chemical_formula_sum   'Co7 Ni1 Ir1 S8'
_cell_volume   236.65012191
_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  0.12671265  0.62210738  0.12558899  1.0
  Co  Co1  1  0.12671265  0.12558899  0.62210738  1.0
  Co  Co2  1  0.12671265  0.12558899  0.12558899  1.0
  Co  Co3  1  0.37722317  0.87425861  0.87425861  1.0
  Co  Co4  1  0.87308062  0.37913949  0.87389094  1.0
  Co  Co5  1  0.87308062  0.87389094  0.37913949  1.0
  Co  Co6  1  0.87308062  0.87389094  0.87389094  1.0
  Ni  Ni7  1  0.61654873  0.12781742  0.12781742  1.0
  Ir  Ir8  1  0.50242620  0.49919193  0.49919193  1.0
  S  S9  1  0.24103243  0.25298919  0.25298919  1.0
  S  S10  1  0.74717730  0.75094123  0.75094123  1.0
  S  S11  1  0.74859795  0.25636084  0.25636084  1.0
  S  S12  1  0.74859795  0.25636084  0.73868037  1.0
  S  S13  1  0.74859795  0.73868037  0.25636084  1.0
  S  S14  1  0.25680618  0.74313517  0.74313517  1.0
  S  S15  1  0.25680618  0.74313517  0.25692548  1.0
  S  S16  1  0.25680618  0.25692548  0.74313517  1.0