# generated using pymatgen
data_CoSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66823019
_cell_length_b   5.66823019
_cell_length_c   5.66823019
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSeS
_chemical_formula_sum   'Co4 Se4 S4'
_cell_volume   182.11362394
_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  0.50901900  0.49098100  0.99098100  1
  Co  Co1  1  0.49098100  0.99098100  0.50901900  1
  Co  Co2  1  0.99098100  0.50901900  0.49098100  1
  Co  Co3  1  0.00901900  0.00901900  0.00901900  1
  Se  Se4  1  0.87659300  0.12340700  0.62340700  1
  Se  Se5  1  0.12340700  0.62340700  0.87659300  1
  Se  Se6  1  0.62340700  0.87659300  0.12340700  1
  Se  Se7  1  0.37659300  0.37659300  0.37659300  1
  S  S8  1  0.12025000  0.87975000  0.37975000  1
  S  S9  1  0.87975000  0.37975000  0.12025000  1
  S  S10  1  0.37975000  0.12025000  0.87975000  1
  S  S11  1  0.62025000  0.62025000  0.62025000  1
