# generated using pymatgen
data_CoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20972655
_cell_length_b   3.20972655
_cell_length_c   21.30037620
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoS2
_chemical_formula_sum   'Co3 S6'
_cell_volume   190.04391775
_cell_formula_units_Z   3
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  0.00000000  0.00000000  1
  Co  Co1  1  0.66666700  0.33333300  0.33333300  1
  Co  Co2  1  0.33333300  0.66666700  0.66666700  1
  S  S3  1  0.33333300  0.66666700  0.05959300  1
  S  S4  1  0.33333300  0.66666700  0.27374000  1
  S  S5  1  0.00000000  0.00000000  0.39292700  1
  S  S6  1  0.00000000  0.00000000  0.60707300  1
  S  S7  1  0.66666700  0.33333300  0.72626000  1
  S  S8  1  0.66666700  0.33333300  0.94040700  1
