data_[Cs2Bi4Br14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.8305]
_cell_length_b [10.0247]
_cell_length_c [10.8475]
_cell_angle_alpha [76.3656]
_cell_angle_beta [83.5944]
_cell_angle_gamma [76.7750]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsBi2Br7]
_chemical_formula_sum '[Cs2 Bi4 Br14]'
_cell_volume [804.0769]
_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  2  0.3717  0.8760  0.3112  1.0
  Bi  Bi1  2  0.1270  0.3644  0.3723  1.0
  Bi  Bi2  2  0.3104  0.6957  0.9405  1.0
  Br  Br3  2  0.0206  0.2206  0.2058  1.0
  Br  Br4  2  0.1093  0.6489  0.1717  1.0
  Br  Br5  2  0.1429  0.1322  0.5631  1.0
  Br  Br6  2  0.2342  0.5184  0.5434  1.0
  Br  Br7  2  0.2819  0.9666  0.9508  1.0
  Br  Br8  2  0.3781  0.3800  0.9315  1.0
  Br  Br9  2  0.4936  0.2470  0.3184  1.0
]