data_[Pr2Ag12Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.6306]
_cell_length_b [9.4750]
_cell_length_c [9.6485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr(AgAu)6]
_chemical_formula_sum '[Pr2 Ag12 Au12]'
_cell_volume [514.7514]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  8  0.2500  0.2500  0.2500  1.0
  Ag  Ag2  4  0.0000  0.2669  0.5000  1.0
  Au  Au3  4  0.0000  0.0000  0.3430  1.0
  Au  Au4  4  0.0000  0.3429  0.0000  1.0
  Au  Au5  4  0.0000  0.5000  0.3063  1.0
]