data_[Tm2Cd4Pd8]
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 [P1]
_cell_length_a [5.8532]
_cell_length_b [6.7265]
_cell_length_c [7.2136]
_cell_angle_alpha [111.3686]
_cell_angle_beta [92.2575]
_cell_angle_gamma [103.7976]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tm(CdPd2)2]
_chemical_formula_sum '[Tm2 Cd4 Pd8]'
_cell_volume [254.3405]
_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  1  0.7588  0.4920  0.2966  1.0
  Tm  Tm1  1  0.9482  0.0161  0.1386  1.0
  Cd  Cd2  1  0.0082  0.3043  0.6007  1.0
  Cd  Cd3  1  0.1259  0.5967  0.0223  1.0
  Cd  Cd4  1  0.3976  0.7833  0.7332  1.0
  Cd  Cd5  1  0.5048  0.3025  0.5952  1.0
  Pd  Pd6  1  0.1523  0.8887  0.4410  1.0
  Pd  Pd7  1  0.2415  0.1778  0.8904  1.0
  Pd  Pd8  1  0.2692  0.4647  0.3246  1.0
  Pd  Pd9  1  0.4545  0.0398  0.1684  1.0
  Pd  Pd10  1  0.6016  0.6071  0.9982  1.0
  Pd  Pd11  1  0.6539  0.8924  0.4346  1.0
  Pd  Pd12  1  0.7473  0.1903  0.8863  1.0
  Pd  Pd13  1  0.8861  0.7441  0.7198  1.0
]