data_[Na3V5Se10]
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 [P1]
_cell_length_a [6.2297]
_cell_length_b [8.4720]
_cell_length_c [9.0195]
_cell_angle_alpha [114.7804]
_cell_angle_beta [96.6567]
_cell_angle_gamma [103.0437]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3(VSe2)5]
_chemical_formula_sum '[Na3 V5 Se10]'
_cell_volume [408.9510]
_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  0.1605  0.1004  0.5904  1.0
  Na  Na1  1  0.3004  0.7218  0.2256  1.0
  Na  Na2  1  0.6749  0.4726  0.9767  1.0
  V  V3  1  0.1730  0.3954  0.3984  1.0
  V  V4  1  0.4625  0.8135  0.8160  1.0
  V  V5  1  0.6417  0.1883  0.1878  1.0
  V  V6  1  0.8203  0.6199  0.6151  1.0
  V  V7  1  0.9864  0.9861  0.9865  1.0
  Se  Se8  1  0.0805  0.6889  0.8861  1.0
  Se  Se9  1  0.1833  0.7242  0.5305  1.0
  Se  Se10  1  0.2624  0.0899  0.2702  1.0
  Se  Se11  1  0.3640  0.1089  0.9185  1.0
  Se  Se12  1  0.4542  0.4848  0.6784  1.0
  Se  Se13  1  0.5678  0.5030  0.3215  1.0
  Se  Se14  1  0.6737  0.8707  0.0966  1.0
  Se  Se15  1  0.7725  0.9310  0.7069  1.0
  Se  Se16  1  0.8428  0.2812  0.4887  1.0
  Se  Se17  1  0.9791  0.3196  0.1059  1.0
]