data_[Na2Ni4H6S4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7055]
_cell_length_b [6.3014]
_cell_length_c [7.3940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaNi2H3(SO5)2]
_chemical_formula_sum '[Na2 Ni4 H6 S4 O20]'
_cell_volume [364.9931]
_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
[
  Na  Na0  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni1  4  0.2500  0.2500  0.5000  1.0
  H  H2  4  0.1962  0.5000  0.7308  1.0
  H  H3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0950  0.0000  0.7951  1.0
  O  O5  8  0.0140  0.1968  0.2530  1.0
  O  O6  4  0.1532  0.5000  0.5830  1.0
  O  O7  4  0.1919  0.0000  0.6643  1.0
  O  O8  4  0.2225  0.0000  0.0043  1.0
]