data_[Cs1Na2V1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2/m]
_cell_length_a [5.8688]
_cell_length_b [9.3241]
_cell_length_c [6.4417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsNa2VCl8]
_chemical_formula_sum '[Cs1 Na2 V1 Cl8]'
_cell_volume [352.1734]
_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
[
  Cs  Cs0  1  0.0000  0.5000  0.0000  1.0
  Na  Na1  2  0.5000  0.2318  0.5000  1.0
  V  V2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2272  0.1743  0.8628  1.0
  Cl  Cl4  2  0.2333  0.0000  0.3046  1.0
  Cl  Cl5  2  0.2531  0.5000  0.4979  1.0
]