data_[Pr16Sb2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4894]
_cell_length_b [5.3353]
_cell_length_c [7.2086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8SbAu2]
_chemical_formula_sum '[Pr16 Sb2 Au4]'
_cell_volume [706.1349]
_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  4  0.0228  0.0000  0.7712  1
  Pr  Pr1  4  0.0947  0.5000  0.4737  1
  Pr  Pr2  4  0.1741  0.5000  0.0015  1
  Pr  Pr3  4  0.2006  0.0000  0.3515  1
  Sb  Sb4  2  0.0000  0.5000  0.0000  1
  Au  Au5  4  0.1713  0.0000  0.7380  1
]