data_[Cs1Tl2Rh1Br8]
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
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9887]
_cell_length_b [7.4540]
_cell_length_c [9.7028]
_cell_angle_alpha [88.6786]
_cell_angle_beta [72.2810]
_cell_angle_gamma [85.6833]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTl2RhBr8]
_chemical_formula_sum '[Cs1 Tl2 Rh1 Br8]'
_cell_volume [411.4124]
_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  0.2889  0.4648  0.8200  1.0
  Rh  Rh2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1536  0.2275  0.1276  1.0
  Br  Br4  2  0.1942  0.7446  0.1063  1.0
  Br  Br5  2  0.2478  0.4979  0.4915  1.0
  Br  Br6  2  0.3465  0.0137  0.7770  1.0
]