data_[Cs4Sn4Br14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.3526]
_cell_length_b [15.5859]
_cell_length_c [5.6233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cs2Sn2Br7]
_chemical_formula_sum '[Cs4 Sn4 Br14]'
_cell_volume [993.4459]
_cell_formula_units_Z [2]
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  0.0096  0.3027  0.1200  1
  Sn  Sn1  2  0.2168  0.0000  0.5170  1
  Sn  Sn2  2  0.2336  0.5000  0.6434  1
  Br  Br3  4  0.2112  0.1222  0.1821  1
  Br  Br4  4  0.2260  0.3208  0.6520  1
  Br  Br5  2  0.2116  0.5000  0.1461  1
  Br  Br6  2  0.4711  0.0000  0.6235  1
  Br  Br7  2  0.4734  0.5000  0.6619  1
]