data_[Cs4Bi2Te2Br6]
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
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.9388]
_cell_length_b [6.0210]
_cell_length_c [18.3182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cs2BiTeBr3]
_chemical_formula_sum '[Cs4 Bi2 Te2 Br6]'
_cell_volume [655.0046]
_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  0.0000  0.0000  0.3598  1
  Bi  Bi1  2  0.0000  0.0000  0.0000  1
  Te  Te2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.0000  0.0000  0.1606  1
  Br  Br4  2  0.0000  0.5000  0.5000  1
]