data_[Pr9Pt24Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4868]
_cell_length_b [5.4868]
_cell_length_c [26.9731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pr3Pt8Au]
_chemical_formula_sum '[Pr9 Pt24 Au3]'
_cell_volume [703.2400]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0106  1.0
  Pr  Pr1  3  0.0000  0.0000  0.4922  1.0
  Pr  Pr2  3  0.0000  0.0000  0.6223  1.0
  Pt  Pt3  9  0.1668  0.3336  0.8958  1.0
  Pt  Pt4  9  0.1682  0.3365  0.3946  1.0
  Pt  Pt5  3  0.0000  0.0000  0.3119  1.0
  Pt  Pt6  3  0.0000  0.0000  0.8117  1.0
  Au  Au7  3  0.0000  0.0000  0.1300  1.0
]