data_[Na2V2Br2Cl12]
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
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7263]
_cell_length_b [11.7973]
_cell_length_c [7.4695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NaVBrCl6]
_chemical_formula_sum '[Na2 V2 Br2 Cl12]'
_cell_volume [581.8612]
_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  0.0000  0.1768  0.0000  1.0
  V  V1  2  0.0000  0.8162  0.0000  1.0
  Br  Br2  2  0.0000  0.9779  0.5000  1.0
  Cl  Cl3  4  0.1036  0.6892  0.8131  1.0
  Cl  Cl4  4  0.1318  0.9787  0.8234  1.0
  Cl  Cl5  4  0.1996  0.3467  0.8171  1.0
]