data_[Tm12Cd2Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7960]
_cell_length_b [10.0307]
_cell_length_c [6.0596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6CdFe]
_chemical_formula_sum '[Tm12 Cd2 Fe2]'
_cell_volume [457.3017]
_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  8  0.1176  0.3185  0.7853  1
  Tm  Tm1  4  0.2246  0.0000  0.6360  1
  Cd  Cd2  2  0.0000  0.0000  0.0000  1
  Fe  Fe3  2  0.0000  0.5000  0.5000  1
]