data_[Na2V4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7210]
_cell_length_b [9.4565]
_cell_length_c [6.5334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(VCl4)2]
_chemical_formula_sum '[Na2 V4 Cl16]'
_cell_volume [776.6591]
_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  0.0000  0.0000  1.0
  V  V1  4  0.2006  0.0000  0.6609  1.0
  Cl  Cl2  8  0.1174  0.1836  0.7665  1.0
  Cl  Cl3  4  0.1340  0.5000  0.2000  1.0
  Cl  Cl4  4  0.1845  0.0000  0.3216  1.0
]