# generated using pymatgen
data_Cu3Se2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88821402
_cell_length_b   3.88821373
_cell_length_c   17.06457143
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998595
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Se2S
_chemical_formula_sum   'Cu6 Se4 S2'
_cell_volume   223.42222336
_cell_formula_units_Z   2
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  0.33333300  0.66666700  0.75000000  1.0
  Cu  Cu1  1  0.66666700  0.33333300  0.25000000  1.0
  Cu  Cu2  1  0.33333300  0.66666700  0.11591963  1.0
  Cu  Cu3  1  0.66666700  0.33333300  0.61591963  1.0
  Cu  Cu4  1  0.66666700  0.33333300  0.88408037  1.0
  Cu  Cu5  1  0.33333300  0.66666700  0.38408037  1.0
  Se  Se6  1  0.00000000  0.00000000  0.07003212  1.0
  Se  Se7  1  0.00000000  0.00000000  0.57003212  1.0
  Se  Se8  1  0.00000000  0.00000000  0.92996788  1.0
  Se  Se9  1  0.00000000  0.00000000  0.42996788  1.0
  S  S10  1  0.33333300  0.66666700  0.25000000  1.0
  S  S11  1  0.66666700  0.33333300  0.75000000  1.0