# generated using pymatgen
data_NiH2SO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13713359
_cell_length_b   5.13713359
_cell_length_c   7.48924525
_cell_angle_alpha   72.72000360
_cell_angle_beta   72.72000360
_cell_angle_gamma   96.29002777
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH2SO5
_chemical_formula_sum   'Ni2 H4 S2 O10'
_cell_volume   175.91214310
_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  0.50000000  0.50000000  1.0
  Ni  Ni1  1  0.50000000  0.00000000  0.00000000  1.0
  H  H2  1  0.62937100  0.54447700  0.79714400  1.0
  H  H3  1  0.45552300  0.37062900  0.70285600  1.0
  H  H4  1  0.37062900  0.45552300  0.20285600  1.0
  H  H5  1  0.54447700  0.62937100  0.29714400  1.0
  S  S6  1  0.09271100  0.90728900  0.75000000  1.0
  S  S7  1  0.90728900  0.09271100  0.25000000  1.0
  O  O8  1  0.22286900  0.81657400  0.90280300  1.0
  O  O9  1  0.18342600  0.77713100  0.59719700  1.0
  O  O10  1  0.77713100  0.18342600  0.09719700  1.0
  O  O11  1  0.81657400  0.22286900  0.40280300  1.0
  O  O12  1  0.17803300  0.21960700  0.65608400  1.0
  O  O13  1  0.78039300  0.82196700  0.84391600  1.0
  O  O14  1  0.82196700  0.78039300  0.34391600  1.0
  O  O15  1  0.21960700  0.17803300  0.15608400  1.0
  O  O16  1  0.61814100  0.38185900  0.75000000  1.0
  O  O17  1  0.38185900  0.61814100  0.25000000  1.0