data_[Tm12Al3Cd1]
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 [P4/mmm]
_cell_length_a [4.7129]
_cell_length_b [4.7129]
_cell_length_c [18.9007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tm12Al3Cd]
_chemical_formula_sum '[Tm12 Al3 Cd1]'
_cell_volume [419.8029]
_cell_formula_units_Z [1]
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  4  0.0000  0.5000  0.1298  1
  Tm  Tm1  4  0.0000  0.5000  0.3763  1
  Tm  Tm2  2  0.5000  0.5000  0.2526  1
  Tm  Tm3  1  0.5000  0.5000  0.0000  1
  Tm  Tm4  1  0.5000  0.5000  0.5000  1
  Al  Al5  2  0.0000  0.0000  0.2517  1
  Al  Al6  1  0.0000  0.0000  0.5000  1
  Cd  Cd7  1  0.0000  0.0000  0.0000  1
]