data_[Pm4Pd16Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.7773]
_cell_length_b [4.5146]
_cell_length_c [8.5821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Pm(Pd2Au)2]
_chemical_formula_sum '[Pm4 Pd16 Au8]'
_cell_volume [516.3094]
_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  2  0.1401  0.0000  0.0318  1
  Pm  Pm1  2  0.4306  0.0000  0.5333  1
  Pd  Pd2  2  0.0829  0.0000  0.5834  1
  Pd  Pd3  2  0.0863  0.5000  0.3334  1
  Pd  Pd4  2  0.1169  0.5000  0.7905  1
  Pd  Pd5  2  0.2085  0.0000  0.3895  1
  Pd  Pd6  2  0.3180  0.5000  0.9766  1
  Pd  Pd7  2  0.3584  0.0000  0.1780  1
  Pd  Pd8  2  0.4519  0.5000  0.7825  1
  Pd  Pd9  2  0.4883  0.0000  0.9920  1
  Au  Au10  2  0.2512  0.5000  0.5955  1
  Au  Au11  2  0.2799  0.5000  0.2789  1
  Au  Au12  2  0.2875  0.0000  0.7910  1
  Au  Au13  2  0.4820  0.5000  0.2435  1
]