data_[Pm2Pd6Au12]
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 [P2_1/c]
_cell_length_a [6.9129]
_cell_length_b [7.0688]
_cell_length_c [9.2399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pm(PdAu2)3]
_chemical_formula_sum '[Pm2 Pd6 Au12]'
_cell_volume [383.0485]
_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  2  0.0000  0.0000  0.0000  1
  Pd  Pd1  4  0.2470  0.1788  0.4484  1
  Pd  Pd2  2  0.5000  0.0000  0.0000  1
  Au  Au3  4  0.1296  0.0659  0.6759  1
  Au  Au4  4  0.2546  0.6900  0.8411  1
  Au  Au5  4  0.4906  0.1450  0.2867  1
]