data_[Pm6Al16Pd6]
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 [Immm]
_cell_length_a [4.3868]
_cell_length_b [9.9941]
_cell_length_c [12.4849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pm3Al8Pd3]
_chemical_formula_sum '[Pm6 Al16 Pd6]'
_cell_volume [547.3635]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.1882  1
  Pm  Pm1  2  0.0000  0.0000  0.5000  1
  Al  Al2  8  0.0000  0.2832  0.3790  1
  Al  Al3  8  0.0000  0.3644  0.1642  1
  Pd  Pd4  4  0.0000  0.2136  0.0000  1
  Pd  Pd5  2  0.0000  0.5000  0.5000  1
]