data_[Tm4Sc12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.8129]
_cell_length_b [3.5936]
_cell_length_c [13.3427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmSc3Pd]
_chemical_formula_sum '[Tm4 Sc12 Pd4]'
_cell_volume [470.5069]
_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  0.1576  0.2500  0.0201  1.0
  Sc  Sc1  4  0.0829  0.2500  0.4129  1.0
  Sc  Sc2  4  0.1128  0.7500  0.8020  1.0
  Sc  Sc3  4  0.1445  0.7500  0.2272  1.0
  Pd  Pd4  4  0.1184  0.2500  0.6289  1.0
]