data_[Tm36Sc18Cd3]
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 [R-3]
_cell_length_a [11.3586]
_cell_length_b [11.3586]
_cell_length_c [14.5460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tm12Sc6Cd]
_chemical_formula_sum '[Tm36 Sc18 Cd3]'
_cell_volume [1625.2719]
_cell_formula_units_Z [3]
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  18  0.0129  0.1850  0.8168  1
  Tm  Tm1  18  0.0485  0.8476  0.4128  1
  Sc  Sc2  18  0.0288  0.4346  0.6933  1
  Cd  Cd3  3  0.0000  0.0000  0.0000  1
]