# generated using pymatgen
data_Cu2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04328917
_cell_length_b   5.04328917
_cell_length_c   5.04328917
_cell_angle_alpha   98.72587081
_cell_angle_beta   98.72587081
_cell_angle_gamma   134.15371364
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2S
_chemical_formula_sum   'Cu4 S2'
_cell_volume   84.76575404
_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  0.12500000  0.78871700  0.16371700  1.0
  Cu  Cu1  1  0.21128300  0.37500000  0.33628300  1.0
  Cu  Cu2  1  0.62500000  0.96128300  0.83628300  1.0
  Cu  Cu3  1  0.03871700  0.87500000  0.66371700  1.0
  S  S4  1  0.50000000  0.50000000  0.00000000  1.0
  S  S5  1  0.75000000  0.25000000  0.50000000  1.0