data_[Tm8Sn12Pd16]
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 [Cmce]
_cell_length_a [6.0258]
_cell_length_b [16.4939]
_cell_length_c [7.4671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tm2Sn3Pd4]
_chemical_formula_sum '[Tm8 Sn12 Pd16]'
_cell_volume [742.1501]
_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  0.0000  0.1000  0.5935  1.0
  Sn  Sn1  8  0.2500  0.2378  0.2500  1.0
  Sn  Sn2  4  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  8  0.0000  0.1644  0.9761  1.0
  Pd  Pd4  8  0.2500  0.0695  0.2500  1.0
]