data_[Rb4Tl8Ge4Br20]
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 [Cmc2_1]
_cell_length_a [4.3796]
_cell_length_b [18.9440]
_cell_length_c [17.4906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [RbTl2GeBr5]
_chemical_formula_sum '[Rb4 Tl8 Ge4 Br20]'
_cell_volume [1451.1422]
_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  0.4396  0.4353  1.0
  Tl  Tl1  4  0.0000  0.0534  0.6521  1.0
  Tl  Tl2  4  0.0000  0.1534  0.2523  1.0
  Ge  Ge3  4  0.0000  0.2565  0.0387  1.0
  Br  Br4  4  0.0000  0.1022  0.0717  1.0
  Br  Br5  4  0.0000  0.2347  0.6523  1.0
  Br  Br6  4  0.0000  0.2581  0.4321  1.0
  Br  Br7  4  0.0000  0.3973  0.0199  1.0
  Br  Br8  4  0.0000  0.4726  0.7696  1.0
]