# generated using pymatgen
data_CuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59231407
_cell_length_b   4.69742684
_cell_length_c   5.80153229
_cell_angle_alpha   90.00103458
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00002179
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuS2
_chemical_formula_sum   'Cu2 S4'
_cell_volume   97.89872550
_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  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu1  1  0.00000000  -0.00000000  -0.00000000  1.0
  S  S2  1  0.49999997  0.32834899  0.89565642  1.0
  S  S3  1  0.00000003  0.17164901  0.39565843  1.0
  S  S4  1  -0.00000003  0.82835099  0.60434157  1.0
  S  S5  1  0.50000003  0.67165101  0.10434358  1.0