data_[Na6V4Ni2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6087]
_cell_length_b [10.9605]
_cell_length_c [7.1950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3V2NiSe6]
_chemical_formula_sum '[Na6 V4 Ni2 Se12]'
_cell_volume [494.4966]
_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  0.1760  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  V  V2  4  0.0000  0.3506  0.0000  1.0
  Ni  Ni3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2183  0.1632  0.1885  1.0
  Se  Se5  4  0.2371  0.5000  0.2200  1.0
]