# generated using pymatgen
data_Cu3RuSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09265153
_cell_length_b   6.09265153
_cell_length_c   6.09265153
_cell_angle_alpha   89.32407775
_cell_angle_beta   89.32407775
_cell_angle_gamma   89.32407775
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3RuSe8
_chemical_formula_sum   'Cu3 Ru1 Se8'
_cell_volume   226.11483374
_cell_formula_units_Z   1
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  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu1  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu2  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru3  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se4  1  0.37896161  0.11118875  0.89154090  1.0
  Se  Se5  1  0.11118875  0.89154090  0.37896161  1.0
  Se  Se6  1  0.89154090  0.37896161  0.11118875  1.0
  Se  Se7  1  0.60932872  0.60932872  0.60932872  1.0
  Se  Se8  1  0.39067128  0.39067128  0.39067128  1.0
  Se  Se9  1  0.10845910  0.62103839  0.88881125  1.0
  Se  Se10  1  0.88881125  0.10845910  0.62103839  1.0
  Se  Se11  1  0.62103839  0.88881125  0.10845910  1.0