# generated using pymatgen
data_Cu2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02241900
_cell_length_b   4.61841815
_cell_length_c   17.73405853
_cell_angle_alpha   85.31396927
_cell_angle_beta   87.87342989
_cell_angle_gamma   65.67021886
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2S
_chemical_formula_sum   'Cu12 S6'
_cell_volume   299.18514114
_cell_formula_units_Z   6
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  0.61084300  0.48209800  0.43603000  1.0
  Cu  Cu1  1  0.91399700  0.98935800  0.01166800  1.0
  Cu  Cu2  1  0.28637200  0.11660400  0.44787100  1.0
  Cu  Cu3  1  0.41537400  0.91174200  0.30942700  1.0
  Cu  Cu4  1  0.94400600  0.06775200  0.76283600  1.0
  Cu  Cu5  1  0.53586300  0.61184100  0.67302000  1.0
  Cu  Cu6  1  0.73074700  0.27929200  0.31220500  1.0
  Cu  Cu7  1  0.17396900  0.38181800  0.18768600  1.0
  Cu  Cu8  1  0.99391700  0.70575500  0.49386900  1.0
  Cu  Cu9  1  0.23564700  0.36487600  0.84106200  1.0
  Cu  Cu10  1  0.08971800  0.55372100  0.35239800  1.0
  Cu  Cu11  1  0.62679400  0.62852300  0.94841000  1.0
  S  S12  1  0.47791000  0.82951400  0.05868500  1.0
  S  S13  1  0.03924700  0.58578800  0.72387100  1.0
  S  S14  1  0.68676800  0.38095800  0.12167000  1.0
  S  S15  1  0.46703700  0.74709700  0.54683500  1.0
  S  S16  1  0.95246600  0.85896600  0.24268700  1.0
  S  S17  1  0.79332400  0.19696300  0.88910400  1.0