data_[Cs4V4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [17.7832]
_cell_length_b [7.3980]
_cell_length_c [6.3449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsVCl4]
_chemical_formula_sum '[Cs4 V4 Cl16]'
_cell_volume [830.3484]
_cell_formula_units_Z [4]
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  4  0.1737  0.0000  0.2161  1
  V  V1  4  0.0929  0.5000  0.8838  1
  Cl  Cl2  8  0.1401  0.2701  0.6954  1
  Cl  Cl3  4  0.0000  0.2918  0.0000  1
  Cl  Cl4  4  0.1770  0.5000  0.1712  1
]