data_[Pm12Pb16Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [10.2543]
_cell_length_b [10.2543]
_cell_length_c [10.2543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [220]
_chemical_formula_structural [Pm3Pb4Au3]
_chemical_formula_sum '[Pm12 Pb16 Au12]'
_cell_volume [1078.2408]
_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  12  0.0000  0.2500  0.3750  1
  Pb  Pb1  16  0.0931  0.0931  0.0931  1
  Au  Au2  12  0.0000  0.2500  0.8750  1
]