data_[Tm12Sc2Cd4]
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 [C2/m]
_cell_length_a [12.2910]
_cell_length_b [3.6413]
_cell_length_c [11.6284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6ScCd2]
_chemical_formula_sum '[Tm12 Sc2 Cd4]'
_cell_volume [494.3165]
_cell_formula_units_Z [2]
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  0.0171  0.0000  0.3403  1.0
  Tm  Tm1  4  0.1793  0.5000  0.8790  1.0
  Tm  Tm2  4  0.1878  0.5000  0.5862  1.0
  Sc  Sc3  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd4  4  0.1425  0.5000  0.1965  1.0
]