data_[Na8Ni2O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7272]
_cell_length_b [5.7321]
_cell_length_c [8.6776]
_cell_angle_alpha [80.4730]
_cell_angle_beta [71.4100]
_cell_angle_gamma [68.4065]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na4NiO4]
_chemical_formula_sum '[Na8 Ni2 O8]'
_cell_volume [250.6890]
_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  0.0204  0.7675  0.9287  1.0
  Na  Na1  2  0.0951  0.2516  0.6802  1.0
  Na  Na2  2  0.2603  0.7537  0.5163  1.0
  Na  Na3  2  0.4489  0.7412  0.1007  1.0
  Ni  Ni4  2  0.3469  0.2167  0.2567  1.0
  O  O5  2  0.1366  0.0234  0.3032  1.0
  O  O6  2  0.2044  0.4742  0.1187  1.0
  O  O7  2  0.3333  0.9806  0.8588  1.0
  O  O8  2  0.3442  0.3593  0.4263  1.0
]