data_[Pm4Nd4Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.7625]
_cell_length_b [8.3386]
_cell_length_c [11.7139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PmNdAu5]
_chemical_formula_sum '[Pm4 Nd4 Au20]'
_cell_volume [632.7791]
_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  4  0.2500  0.2500  0.5000  1
  Nd  Nd1  4  0.0000  0.1758  0.7500  1
  Au  Au2  8  0.0948  0.4980  0.6468  1
  Au  Au3  8  0.1739  0.1076  0.0401  1
  Au  Au4  4  0.0000  0.1933  0.2500  1
]