data_[Rb8Tl16Bi12]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.6505]
_cell_length_b [19.7353]
_cell_length_c [10.5578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Rb2Tl4Bi3]
_chemical_formula_sum '[Rb8 Tl16 Bi12]'
_cell_volume [1385.7114]
_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  8  0.0000  0.1047  0.4040  1.0
  Tl  Tl1  8  0.0000  0.1798  0.0138  1.0
  Tl  Tl2  8  0.2500  0.0639  0.7500  1.0
  Bi  Bi3  8  0.2500  0.2304  0.7500  1.0
  Bi  Bi4  4  0.0000  0.0000  0.0000  1.0
]