data_[Rb2Tl2Pb2Br8]
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
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.9787]
_cell_length_b [5.9787]
_cell_length_c [17.1157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [RbTlPbBr4]
_chemical_formula_sum '[Rb2 Tl2 Pb2 Br8]'
_cell_volume [611.7958]
_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  2  0.0000  0.0000  0.6329  1.0
  Tl  Tl1  2  0.0000  0.0000  0.3556  1.0
  Pb  Pb2  2  0.0000  0.0000  0.9977  1.0
  Br  Br3  4  0.0000  0.5000  0.0028  1.0
  Br  Br4  2  0.0000  0.0000  0.1803  1.0
  Br  Br5  2  0.0000  0.0000  0.8280  1.0
]