data_[Cs1V1Sn2Br8]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4726]
_cell_length_b [7.5087]
_cell_length_c [8.4673]
_cell_angle_alpha [75.6128]
_cell_angle_beta [87.7822]
_cell_angle_gamma [88.3038]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsV(SnBr4)2]
_chemical_formula_sum '[Cs1 V1 Sn2 Br8]'
_cell_volume [459.7533]
_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  0.5000  1.0
  V  V1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4415  0.9955  0.7601  1.0
  Br  Br3  2  0.0771  0.9110  0.7249  1.0
  Br  Br4  2  0.2316  0.2528  0.9156  1.0
  Br  Br5  2  0.2462  0.7782  0.1328  1.0
  Br  Br6  2  0.4474  0.2596  0.4650  1.0
]