data_[Tm6Ge8Pd8]
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 [Immm]
_cell_length_a [4.1449]
_cell_length_b [7.0961]
_cell_length_c [13.9040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm3(GePd)4]
_chemical_formula_sum '[Tm6 Ge8 Pd8]'
_cell_volume [408.9538]
_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  0.0000  0.5000  0.1256  1.0
  Tm  Tm1  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  4  0.0000  0.0000  0.2179  1.0
  Ge  Ge3  4  0.0000  0.1883  0.5000  1.0
  Pd  Pd4  8  0.0000  0.2985  0.3251  1.0
]