data_[Tm16Al4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7477]
_cell_length_b [13.3481]
_cell_length_c [5.7090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm4AlPd]
_chemical_formula_sum '[Tm16 Al4 Pd4]'
_cell_volume [613.8040]
_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  0.1189  0.1816  0.0738  1.0
  Tm  Tm1  8  0.2061  0.4268  0.3295  1.0
  Al  Al2  4  0.0000  0.3744  0.7500  1.0
  Pd  Pd3  4  0.0000  0.0008  0.2500  1.0
]