data_[Rb4Tl4Cd12]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.9656]
_cell_length_b [6.5084]
_cell_length_c [10.3391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbTlCd3]
_chemical_formula_sum '[Rb4 Tl4 Cd12]'
_cell_volume [646.1455]
_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  0.3847  0.6043  0.2956  1.0
  Tl  Tl1  4  0.1124  0.6944  0.9755  1.0
  Cd  Cd2  4  0.0540  0.1736  0.8181  1.0
  Cd  Cd3  4  0.2107  0.1257  0.1249  1.0
  Cd  Cd4  4  0.3444  0.0982  0.4394  1.0
]