data_[Pm2Al4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8697]
_cell_length_b [7.5130]
_cell_length_c [4.3941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm(AlAu3)2]
_chemical_formula_sum '[Pm2 Al4 Au12]'
_cell_volume [377.9604]
_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
  Al  Al1  4  0.1972  0.5000  0.7041  1
  Au  Au2  8  0.1781  0.3044  0.1886  1
  Au  Au3  4  0.0000  0.2970  0.5000  1
]