data_[Na2V1Ni1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.2441]
_cell_length_b [3.0213]
_cell_length_c [5.6527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2VNiO4]
_chemical_formula_sum '[Na2 V1 Ni1 O4]'
_cell_volume [84.9327]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Na  Na1  1  0.5000  0.0000  0.5000  1.0
  V  V2  1  0.5000  0.5000  0.0000  1.0
  Ni  Ni3  1  0.0000  0.0000  0.0000  1.0
  O  O4  2  0.2562  0.5000  0.1968  1.0
  O  O5  2  0.2795  0.0000  0.7964  1.0
]