data_[Tm12Sc12Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9593]
_cell_length_b [11.1494]
_cell_length_c [15.2236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm3Sc3Cd2]
_chemical_formula_sum '[Tm12 Sc12 Cd8]'
_cell_volume [841.7607]
_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  0.0480  0.6056  1
  Tm  Tm1  4  0.0000  0.2802  0.7500  1
  Sc  Sc2  8  0.0000  0.3609  0.5358  1
  Sc  Sc3  4  0.0000  0.4376  0.2500  1
  Cd  Cd4  8  0.0000  0.2304  0.1276  1
]