data_[Cs1V2Cu1Cl8]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5298]
_cell_length_b [7.3887]
_cell_length_c [8.2606]
_cell_angle_alpha [106.5156]
_cell_angle_beta [105.3546]
_cell_angle_gamma [106.1899]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsV2CuCl8]
_chemical_formula_sum '[Cs1 V2 Cu1 Cl8]'
_cell_volume [340.3658]
_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
  V  V1  2  0.4695  0.2425  0.4992  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.2313  0.4413  0.4341  1.0
  Cl  Cl4  2  0.2328  0.8848  0.4437  1.0
  Cl  Cl5  2  0.3534  0.0992  0.1611  1.0
  Cl  Cl6  2  0.4307  0.3222  0.7721  1.0
]