data_[Cs4Br1F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.3414]
_cell_length_b [6.3404]
_cell_length_c [6.3415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cs4BrF3]
_chemical_formula_sum '[Cs4 Br1 F3]'
_cell_volume [254.9753]
_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  0.0035  0.5000  0.7428  1
  Cs  Cs1  1  0.4963  0.5000  0.2448  1
  Cs  Cs2  1  0.5048  0.0000  0.7549  1
  Cs  Cs3  1  0.9948  0.0000  0.2565  1
  Br  Br4  1  0.0058  0.0000  0.7578  1
  F  F5  1  0.4949  0.0000  0.2568  1
  F  F6  1  0.5051  0.5000  0.7433  1
  F  F7  1  0.9949  0.5000  0.2432  1
]