data_[Cs6As2Br14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.7866]
_cell_length_b [10.7866]
_cell_length_c [7.6712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Cs3AsBr7]
_chemical_formula_sum '[Cs6 As2 Br14]'
_cell_volume [892.5538]
_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  0.1746  0.3254  0.5000  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  As  As2  2  0.0000  0.5000  0.0000  1
  Br  Br3  8  0.1186  0.6186  0.2432  1
  Br  Br4  4  0.1695  0.3305  0.0000  1
  Br  Br5  2  0.0000  0.0000  0.5000  1
]