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 [Cm]
_cell_length_a [8.6809]
_cell_length_b [6.2724]
_cell_length_c [7.4089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaNi2H3(SO5)2]
_chemical_formula_sum '[Na2 Ni4 H6 S4 O20]'
_cell_volume [364.6528]
_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  0.0019  0.5000  0.5010  1.0
  Ni  Ni1  4  0.2530  0.2492  0.0005  1.0
  H  H2  2  0.0095  0.5000  0.0075  1.0
  H  H3  2  0.1987  0.5000  0.2357  1.0
  H  H4  2  0.3122  0.0000  0.7720  1.0
  S  S5  2  0.0951  0.0000  0.2939  1.0
  S  S6  2  0.4094  0.5000  0.7084  1.0
  O  O7  4  0.0177  0.1956  0.7533  1.0
  O  O8  4  0.4875  0.3036  0.2488  1.0
  O  O9  2  0.1584  0.5000  0.0891  1.0
  O  O10  2  0.1904  0.0000  0.1606  1.0
  O  O11  2  0.2228  0.0000  0.5013  1.0
  O  O12  2  0.2811  0.5000  0.5012  1.0
  O  O13  2  0.3125  0.5000  0.8401  1.0
  O  O14  2  0.3513  0.0000  0.9180  1.0
]