data_[Pm12Ag8Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.2029]
_cell_length_b [9.8051]
_cell_length_c [16.4756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Pm3Ag2Au5]
_chemical_formula_sum '[Pm12 Ag8 Au20]'
_cell_volume [1002.0459]
_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  0.0208  0.8295  1
  Pm  Pm1  4  0.0000  0.2500  0.5191  1
  Ag  Ag2  8  0.0000  0.0193  0.3629  1
  Au  Au3  8  0.2242  0.0000  0.0000  1
  Au  Au4  4  0.0000  0.2500  0.2656  1
  Au  Au5  4  0.0000  0.2500  0.7058  1
  Au  Au6  4  0.0000  0.2500  0.9595  1
]