data_[Tm24Al4Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.7526]
_cell_length_b [9.8247]
_cell_length_c [10.1932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm6AlCd2]
_chemical_formula_sum '[Tm24 Al4 Cd8]'
_cell_volume [976.6828]
_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  8  0.0000  0.1774  0.2598  1
  Tm  Tm1  8  0.1734  0.5000  0.2370  1
  Tm  Tm2  8  0.2439  0.3055  0.5000  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  Al  Al4  2  0.0000  0.5000  0.5000  1
  Cd  Cd5  4  0.0000  0.3572  0.0000  1
  Cd  Cd6  4  0.1405  0.0000  0.5000  1
]