data_[Cs1Tl2Bi1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  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 [7.2512]
_cell_length_b [7.2742]
_cell_length_c [10.2137]
_cell_angle_alpha [78.9536]
_cell_angle_beta [79.5155]
_cell_angle_gamma [80.7352]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTl2BiBr8]
_chemical_formula_sum '[Cs1 Tl2 Bi1 Br8]'
_cell_volume [515.4698]
_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  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  2  0.4511  0.4489  0.7385  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1638  0.7383  0.2129  1.0
  Br  Br4  2  0.2553  0.8271  0.7921  1.0
  Br  Br5  2  0.2661  0.2544  0.9980  1.0
  Br  Br6  2  0.3425  0.3305  0.5121  1.0
]