data_[Rb12Tl20Pd8]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.2144]
_cell_length_b [15.3456]
_cell_length_c [8.2829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Rb3Tl5Pd2]
_chemical_formula_sum '[Rb12 Tl20 Pd8]'
_cell_volume [1425.4238]
_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  0.2485  0.3594  0.0000  1.0
  Rb  Rb1  4  0.0000  0.0000  0.2500  1.0
  Tl  Tl2  8  0.0000  0.2592  0.2500  1.0
  Tl  Tl3  8  0.1658  0.3917  0.5000  1.0
  Tl  Tl4  4  0.0000  0.5000  0.2500  1.0
  Pd  Pd5  8  0.1042  0.1679  0.0000  1.0
]