data_[Tm12Sn4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8604]
_cell_length_b [10.8353]
_cell_length_c [8.0108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tm3SnPd]
_chemical_formula_sum '[Tm12 Sn4 Pd4]'
_cell_volume [508.6763]
_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  8  0.0085  0.6018  0.1342  1
  Tm  Tm1  4  0.2162  0.7500  0.7238  1
  Sn  Sn2  4  0.0000  0.0000  0.5000  1
  Pd  Pd3  4  0.0715  0.2500  0.5821  1
]