data_[Na2Ni6O8]
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 [3.0081]
_cell_length_b [5.2175]
_cell_length_c [10.0076]
_cell_angle_alpha [86.1655]
_cell_angle_beta [82.3536]
_cell_angle_gamma [89.1827]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaNi3O4]
_chemical_formula_sum '[Na2 Ni6 O8]'
_cell_volume [155.3192]
_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  0.1405  0.3783  0.7501  1.0
  Ni  Ni1  2  0.2477  0.7500  0.4950  1.0
  Ni  Ni2  2  0.3704  0.1243  0.2506  1.0
  Ni  Ni3  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni4  1  0.5000  0.5000  0.0000  1.0
  O  O5  2  0.0578  0.7117  0.8856  1.0
  O  O6  2  0.1888  0.0390  0.6208  1.0
  O  O7  2  0.3037  0.4129  0.3923  1.0
  O  O8  2  0.4123  0.8360  0.1094  1.0
]