data_[Tm6Zn45Cd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0913]
_cell_length_b [9.0913]
_cell_length_c [13.2572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm2Zn15Cd2]
_chemical_formula_sum '[Tm6 Zn45 Cd6]'
_cell_volume [948.9311]
_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  6  0.0000  0.0000  0.3425  1.0
  Zn  Zn1  18  0.0000  0.3047  0.0000  1.0
  Zn  Zn2  18  0.0150  0.5075  0.1522  1.0
  Zn  Zn3  9  0.0000  0.5000  0.5000  1.0
  Cd  Cd4  6  0.0000  0.0000  0.1067  1.0
]