data_[Na6Hf2Ni4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3816]
_cell_length_b [9.1684]
_cell_length_c [5.7566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Hf(NiO3)2]
_chemical_formula_sum '[Na6 Hf2 Ni4 O12]'
_cell_volume [269.4861]
_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  4  0.0000  0.1737  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Hf  Hf2  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni3  4  0.0000  0.3327  0.0000  1.0
  O  O4  8  0.2294  0.1673  0.2072  1.0
  O  O5  4  0.2319  0.5000  0.2021  1.0
]