data_[Pm12Al8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3564]
_cell_length_b [11.4207]
_cell_length_c [14.2738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm3Al2Pd3]
_chemical_formula_sum '[Pm12 Al8 Pd12]'
_cell_volume [710.1686]
_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
[
  Pm  Pm0  8  0.0000  0.0734  0.6102  1
  Pm  Pm1  4  0.0000  0.3541  0.7500  1
  Al  Al2  8  0.0000  0.2213  0.0827  1
  Pd  Pd3  8  0.0000  0.3875  0.5430  1
  Pd  Pd4  4  0.0000  0.3307  0.2500  1
]