data_[Tm12Cd2C6]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.8764]
_cell_length_b [3.5370]
_cell_length_c [11.1401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm6CdC3]
_chemical_formula_sum '[Tm12 Cd2 C6]'
_cell_volume [419.8195]
_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  2  0.0747  0.7500  0.9044  1
  Tm  Tm1  2  0.1903  0.7500  0.1950  1
  Tm  Tm2  2  0.2321  0.2500  0.4827  1
  Tm  Tm3  2  0.3330  0.7500  0.7584  1
  Tm  Tm4  2  0.3879  0.2500  0.0489  1
  Tm  Tm5  2  0.4699  0.7500  0.3675  1
  Cd  Cd6  2  0.0286  0.2500  0.6469  1
  C  C7  2  0.1431  0.2500  0.0496  1
  C  C8  2  0.3761  0.7500  0.5568  1
  C  C9  2  0.4733  0.2500  0.8529  1
]