# generated using pymatgen
data_CuSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85155627
_cell_length_b   6.61671122
_cell_length_c   8.38482832
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99988917
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSO4
_chemical_formula_sum   'Cu4 S4 O16'
_cell_volume   269.16428181
_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  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu1  1  -0.00000000  0.50000000  -0.00000000  1.0
  Cu  Cu2  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu3  1  -0.00000000  0.00000000  -0.00000000  1.0
  S  S4  1  0.95096197  0.74999844  0.31730825  1.0
  S  S5  1  0.45096197  0.24999844  0.18269175  1.0
  S  S6  1  0.04903803  0.25000156  0.68269175  1.0
  S  S7  1  0.54903803  0.75000156  0.81730825  1.0
  O  O8  1  0.18841448  0.43526594  0.63067430  1.0
  O  O9  1  0.68841309  0.56472963  0.86932558  1.0
  O  O10  1  0.81158691  0.93527037  0.36932558  1.0
  O  O11  1  0.31158552  0.06473406  0.13067430  1.0
  O  O12  1  0.81158552  0.56473406  0.36932570  1.0
  O  O13  1  0.31158691  0.43527037  0.13067442  1.0
  O  O14  1  0.18841309  0.06472963  0.63067442  1.0
  O  O15  1  0.68841448  0.93526594  0.86932570  1.0
  O  O16  1  0.26332220  0.74999964  0.86792294  1.0
  O  O17  1  0.76332220  0.24999964  0.63207706  1.0
  O  O18  1  0.73667780  0.25000036  0.13207706  1.0
  O  O19  1  0.23667780  0.75000036  0.36792294  1.0
  O  O20  1  0.56778057  0.74999849  0.63578229  1.0
  O  O21  1  0.06778057  0.24999849  0.86421771  1.0
  O  O22  1  0.43221943  0.25000151  0.36421771  1.0
  O  O23  1  0.93221943  0.75000151  0.13578229  1.0