data_[Na6Ni2O6]
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 [5.7568]
_cell_length_b [5.8659]
_cell_length_c [6.3503]
_cell_angle_alpha [64.6518]
_cell_angle_beta [89.1691]
_cell_angle_gamma [85.8849]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na3NiO3]
_chemical_formula_sum '[Na6 Ni2 O6]'
_cell_volume [193.2655]
_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  0.0604  0.7684  0.4449  1.0
  Na  Na1  2  0.1416  0.7628  0.9814  1.0
  Na  Na2  2  0.4362  0.2601  0.7447  1.0
  Ni  Ni3  2  0.3708  0.1868  0.3127  1.0
  O  O4  2  0.2415  0.0991  0.0996  1.0
  O  O5  2  0.2541  0.4686  0.3449  1.0
  O  O6  2  0.3078  0.9202  0.6282  1.0
]