data_[Na6V2Cr4Se12]
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
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5475]
_cell_length_b [11.3451]
_cell_length_c [7.1888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3V(CrSe3)2]
_chemical_formula_sum '[Na6 V2 Cr4 Se12]'
_cell_volume [508.5972]
_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  0.1665  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  V  V2  2  0.0000  0.0000  0.0000  1.0
  Cr  Cr3  4  0.0000  0.3334  0.0000  1.0
  Se  Se4  8  0.2348  0.1679  0.2013  1.0
  Se  Se5  4  0.2316  0.5000  0.2014  1.0
]