# generated using pymatgen
data_CuSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98536900
_cell_length_b   5.98536900
_cell_length_c   5.98536900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSeS
_chemical_formula_sum   'Cu4 Se4 S4'
_cell_volume   214.42370206
_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
  Cu  Cu0  1  0.50625800  0.49374200  0.99374200  1.0
  Cu  Cu1  1  0.49374200  0.99374200  0.50625800  1.0
  Cu  Cu2  1  0.99374200  0.50625800  0.49374200  1.0
  Cu  Cu3  1  0.00625800  0.00625800  0.00625800  1.0
  Se  Se4  1  0.89322500  0.10677500  0.60677500  1.0
  Se  Se5  1  0.10677500  0.60677500  0.89322500  1.0
  Se  Se6  1  0.60677500  0.89322500  0.10677500  1.0
  Se  Se7  1  0.39322500  0.39322500  0.39322500  1.0
  S  S8  1  0.10743000  0.89257000  0.39257000  1.0
  S  S9  1  0.89257000  0.39257000  0.10743000  1.0
  S  S10  1  0.39257000  0.10743000  0.89257000  1.0
  S  S11  1  0.60743000  0.60743000  0.60743000  1.0