# generated using pymatgen
data_CoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52406223
_cell_length_b   5.52405371
_cell_length_c   5.52408168
_cell_angle_alpha   89.99990707
_cell_angle_beta   90.00001566
_cell_angle_gamma   90.00003091
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoS2
_chemical_formula_sum   'Co4 S8'
_cell_volume   168.56854819
_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  -0.00000000  0.50000000  0.50000000  1.0
  Co  Co1  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co2  1  0.50000000  -0.00000000  0.50000000  1.0
  Co  Co3  1  -0.00000000  -0.00000000  0.00000000  1.0
  S  S4  1  0.39087318  0.10912395  0.89087839  1.0
  S  S5  1  0.10911566  0.89086725  0.39087647  1.0
  S  S6  1  0.89088166  0.39087675  0.10913108  1.0
  S  S7  1  0.60913083  0.60911639  0.60912365  1.0
  S  S8  1  0.39086917  0.39088361  0.39087635  1.0
  S  S9  1  0.10911834  0.60912325  0.89086892  1.0
  S  S10  1  0.89088434  0.10913275  0.60912353  1.0
  S  S11  1  0.60912682  0.89087605  0.10912161  1.0