data_[Rb2Tl1Ge1Br6]
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
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.7099]
_cell_length_b [5.7099]
_cell_length_c [11.5394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Rb2TlGeBr6]
_chemical_formula_sum '[Rb2 Tl1 Ge1 Br6]'
_cell_volume [376.2141]
_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
[
  Rb  Rb0  2  0.0000  0.0000  0.2672  1.0
  Tl  Tl1  1  0.5000  0.5000  0.0000  1.0
  Ge  Ge2  1  0.5000  0.5000  0.5000  1.0
  Br  Br3  2  0.0000  0.5000  0.0000  1.0
  Br  Br4  2  0.0000  0.5000  0.5000  1.0
  Br  Br5  2  0.5000  0.5000  0.2629  1.0
]