# generated using pymatgen
data_CoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44437742
_cell_length_b   5.56848400
_cell_length_c   5.53947722
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoS2
_chemical_formula_sum   'Co4 S8'
_cell_volume   167.93993510
_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
  Co  Co1  1  0.00000000  0.00000000  0.00000000  1
  Co  Co2  1  0.50000000  0.00000000  0.50000000  1
  Co  Co3  1  0.50000000  0.50000000  0.00000000  1
  S  S4  1  0.38685300  0.38873500  0.38804500  1
  S  S5  1  0.38685300  0.88873500  0.11195500  1
  S  S6  1  0.88685300  0.61126500  0.11195500  1
  S  S7  1  0.11314700  0.88873500  0.61195500  1
  S  S8  1  0.61314700  0.11126500  0.88804500  1
  S  S9  1  0.11314700  0.38873500  0.88804500  1
  S  S10  1  0.88685300  0.11126500  0.38804500  1
  S  S11  1  0.61314700  0.61126500  0.61195500  1
