data_[Tm20Cd8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.2296]
_cell_length_b [8.2296]
_cell_length_c [12.9766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Tm5Cd2Pb]
_chemical_formula_sum '[Tm20 Cd8 Pb4]'
_cell_volume [878.8570]
_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
[
  Tm  Tm0  16  0.1533  0.3467  0.6509  1.0
  Tm  Tm1  4  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  8  0.1382  0.3618  0.0000  1.0
  Pb  Pb3  4  0.0000  0.0000  0.2500  1.0
]