# generated using pymatgen
data_NiSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69525182
_cell_length_b   4.69525120
_cell_length_c   6.26525632
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.46140229
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSO4
_chemical_formula_sum   'Ni2 S2 O8'
_cell_volume   126.70140929
_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
  Ni  Ni0  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni1  1  0.00000000  0.00000000  0.00000000  1.0
  S  S2  1  0.64902464  0.35097336  0.25000000  1.0
  S  S3  1  0.35097536  0.64902664  0.75000000  1.0
  O  O4  1  0.22891923  0.30014583  0.75000000  1.0
  O  O5  1  0.77108077  0.69985417  0.25000000  1.0
  O  O6  1  0.30014483  0.22892023  0.25000000  1.0
  O  O7  1  0.69985517  0.77107977  0.75000000  1.0
  O  O8  1  0.25116674  0.74883526  0.94459047  1.0
  O  O9  1  0.74883326  0.25116474  0.44459047  1.0
  O  O10  1  0.74883326  0.25116474  0.05540953  1.0
  O  O11  1  0.25116674  0.74883526  0.55540953  1.0