data_[Tm4Ge12Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7395]
_cell_length_b [13.3970]
_cell_length_c [13.0907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TmGe3Pd5]
_chemical_formula_sum '[Tm4 Ge12 Pd20]'
_cell_volume [655.8113]
_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  4  0.0000  0.1061  0.2500  1
  Ge  Ge1  8  0.0000  0.3784  0.5428  1
  Ge  Ge2  4  0.0000  0.1316  0.7500  1
  Pd  Pd3  8  0.0000  0.2015  0.5735  1
  Pd  Pd4  8  0.0000  0.4563  0.1482  1
  Pd  Pd5  4  0.0000  0.0000  0.0000  1
]