data_[Cs1V1H2Br8]
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
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7520]
_cell_length_b [6.7587]
_cell_length_c [10.0012]
_cell_angle_alpha [102.3169]
_cell_angle_beta [92.9590]
_cell_angle_gamma [90.7011]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsV(HBr4)2]
_chemical_formula_sum '[Cs1 V1 H2 Br8]'
_cell_volume [445.1735]
_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  0.0000  0.5000  1.0
  V  V1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.2379  0.6074  0.7600  1.0
  Br  Br3  2  0.1931  0.6853  0.9747  1.0
  Br  Br4  2  0.2147  0.1541  0.2003  1.0
  Br  Br5  2  0.2258  0.1316  0.8557  1.0
  Br  Br6  2  0.2733  0.5492  0.6102  1.0
]