# generated using pymatgen
data_CuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77919803
_cell_length_b   5.77912311
_cell_length_c   5.77931416
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99957855
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuS2
_chemical_formula_sum   'Cu4 S8'
_cell_volume   193.02156187
_cell_formula_units_Z   4
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  -0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu1  1  -0.00000000  0.00000000  -0.00000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  -0.00000000  1.0
  Cu  Cu3  1  0.50000000  0.00000000  0.50000000  1.0
  S  S4  1  0.10072117  0.60072642  0.89928033  1.0
  S  S5  1  0.89927883  0.39927358  0.10071967  1.0
  S  S6  1  0.39927683  0.10072642  0.89928433  1.0
  S  S7  1  0.89927883  0.10072642  0.60071967  1.0
  S  S8  1  0.60072317  0.60072642  0.60071567  1.0
  S  S9  1  0.39927683  0.39927358  0.39928433  1.0
  S  S10  1  0.10072117  0.89927358  0.39928033  1.0
  S  S11  1  0.60072317  0.89927358  0.10071567  1.0