# generated using pymatgen
data_CuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71397310
_cell_length_b   3.71397310
_cell_length_c   4.97738304
_cell_angle_alpha   75.59431129
_cell_angle_beta   75.59431129
_cell_angle_gamma   106.30647362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuS2
_chemical_formula_sum   'Cu1 S2'
_cell_volume   59.95598015
_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  0.72294600  0.27705400  0.50000000  1.0
  S  S1  1  0.94807200  0.92267500  0.21964800  1.0
  S  S2  1  0.07732500  0.05192800  0.78035200  1.0