# generated using pymatgen
data_NiSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20537529
_cell_length_b   5.20537529
_cell_length_c   7.30810600
_cell_angle_alpha   107.55286515
_cell_angle_beta   107.55286515
_cell_angle_gamma   97.83291521
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSO5
_chemical_formula_sum   'Ni2 S2 O10'
_cell_volume   174.29438517
_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  0.65922400  0.34077600  0.75000000  1.0
  S  S3  1  0.34077600  0.65922400  0.25000000  1.0
  O  O4  1  0.07933900  0.92066100  0.75000000  1.0
  O  O5  1  0.92066100  0.07933900  0.25000000  1.0
  O  O6  1  0.66724900  0.13384700  0.85425300  1.0
  O  O7  1  0.86615300  0.33275100  0.64574700  1.0
  O  O8  1  0.33275100  0.86615300  0.14574700  1.0
  O  O9  1  0.13384700  0.66724900  0.35425300  1.0
  O  O10  1  0.37494000  0.27722600  0.59822600  1.0
  O  O11  1  0.72277400  0.62506000  0.90177400  1.0
  O  O12  1  0.62506000  0.72277400  0.40177400  1.0
  O  O13  1  0.27722600  0.37494000  0.09822600  1.0