data_[Rb8Tl4Pb4Br20]
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 [Cmc2_1]
_cell_length_a [4.6826]
_cell_length_b [20.1473]
_cell_length_c [16.1321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2TlPbBr5]
_chemical_formula_sum '[Rb8 Tl4 Pb4 Br20]'
_cell_volume [1521.9284]
_cell_formula_units_Z [4]
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  0.0000  0.0759  0.6483  1.0
  Rb  Rb1  4  0.0000  0.1329  0.2945  1.0
  Tl  Tl2  4  0.0000  0.4491  0.4468  1.0
  Pb  Pb3  4  0.0000  0.2376  0.0340  1.0
  Br  Br4  4  0.0000  0.0907  0.0751  1.0
  Br  Br5  4  0.0000  0.2490  0.6632  1.0
  Br  Br6  4  0.0000  0.2839  0.4098  1.0
  Br  Br7  4  0.0000  0.3852  0.9897  1.0
  Br  Br8  4  0.0000  0.4938  0.7627  1.0
]