data_[Rb4Tl2As2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9504]
_cell_length_b [8.3409]
_cell_length_c [13.9309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2TlAsBr6]
_chemical_formula_sum '[Rb4 Tl2 As2 Br12]'
_cell_volume [760.8638]
_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
[
  Rb  Rb0  4  0.2250  0.5721  0.7482  1.0
  Tl  Tl1  2  0.5000  0.0000  0.0000  1.0
  As  As2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1244  0.7282  0.4526  1.0
  Br  Br4  4  0.2308  0.1766  0.4546  1.0
  Br  Br5  4  0.3159  0.5213  0.2247  1.0
]