data_[Tm16Cd4Pd2]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3691]
_cell_length_b [5.2490]
_cell_length_c [6.8865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0455]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Cd2Pd]
_chemical_formula_sum '[Tm16 Cd4 Pd2]'
_cell_volume [593.4821]
_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  0.0219  0.0000  0.7796  1.0
  Tm  Tm1  4  0.0921  0.5000  0.4350  1.0
  Tm  Tm2  4  0.1548  0.5000  0.9542  1.0
  Tm  Tm3  4  0.1978  0.0000  0.2894  1.0
  Cd  Cd4  4  0.1844  0.0000  0.7083  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]