data_[Pr16Pb4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0804]
_cell_length_b [14.4941]
_cell_length_c [6.2082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr4PbAu]
_chemical_formula_sum '[Pr16 Pb4 Au4]'
_cell_volume [755.6864]
_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
[
  Pr  Pr0  8  0.1114  0.1893  0.5695  1.0
  Pr  Pr1  8  0.2082  0.4185  0.8498  1.0
  Pb  Pb2  4  0.0000  0.3828  0.2500  1.0
  Au  Au3  4  0.0000  0.0027  0.2500  1.0
]