data_[Cs4V4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.2519]
_cell_length_b [20.7750]
_cell_length_c [7.6865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsVBr4]
_chemical_formula_sum '[Cs4 V4 Br16]'
_cell_volume [838.6725]
_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  0.0000  0.3978  0.7500  1.0
  V  V1  4  0.0000  0.0975  0.7500  1.0
  Br  Br2  8  0.0000  0.1764  0.5199  1.0
  Br  Br3  4  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.4208  0.2500  1.0
]