# generated using pymatgen
data_Cu3RuS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74083484
_cell_length_b   5.74083484
_cell_length_c   5.74083484
_cell_angle_alpha   90.44050066
_cell_angle_beta   90.44050066
_cell_angle_gamma   89.55949934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3RuS8
_chemical_formula_sum   'Cu3 Ru1 S8'
_cell_volume   189.18506479
_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  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.00000000  1.0
  Ru  Ru3  1  0.50000000  0.00000000  0.50000000  1.0
  S  S4  1  0.88861181  0.10103366  0.59901702  1.0
  S  S5  1  0.11138819  0.89896634  0.40098298  1.0
  S  S6  1  0.89966938  0.39966938  0.10033062  1.0
  S  S7  1  0.60103366  0.90098298  0.11138819  1.0
  S  S8  1  0.59901702  0.61138819  0.60103366  1.0
  S  S9  1  0.40098298  0.38861181  0.39896634  1.0
  S  S10  1  0.39896634  0.09901702  0.88861181  1.0
  S  S11  1  0.10033062  0.60033062  0.89966938  1.0