data_[Tm20Mg8Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.2849]
_cell_length_b [7.6372]
_cell_length_c [7.5494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tm5(MgCd)2]
_chemical_formula_sum '[Tm20 Mg8 Cd8]'
_cell_volume [996.5837]
_cell_formula_units_Z [4]
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  16  0.1412  0.1848  0.3215  1
  Tm  Tm1  4  0.0000  0.0000  0.0000  1
  Mg  Mg2  8  0.0000  0.1259  0.6239  1
  Cd  Cd3  8  0.2199  0.0000  0.0000  1
]