data_[Na4V2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6822]
_cell_length_b [6.6973]
_cell_length_c [7.2891]
_cell_angle_alpha [80.8526]
_cell_angle_beta [71.6854]
_cell_angle_gamma [60.6475]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2VSe3]
_chemical_formula_sum '[Na4 V2 Se6]'
_cell_volume [269.9187]
_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  0.1323  0.7024  0.5011  1.0
  Na  Na1  1  0.0000  0.0000  0.0000  1.0
  Na  Na2  1  0.5000  0.0000  0.5000  1.0
  V  V3  2  0.3452  0.3521  0.9970  1.0
  Se  Se4  2  0.0652  0.3820  0.7991  1.0
  Se  Se5  2  0.3110  0.9978  0.2007  1.0
  Se  Se6  2  0.4578  0.6197  0.7731  1.0
]