data_[Pr3Sc3Al6Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6143]
_cell_length_b [4.6143]
_cell_length_c [26.0625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PrSc(AlAu2)2]
_chemical_formula_sum '[Pr3 Sc3 Al6 Au12]'
_cell_volume [480.5758]
_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  0.0000  1
  Sc  Sc1  3  -0.0000  -0.0000  0.5000  1
  Al  Al2  6  0.0000  0.0000  0.2402  1
  Au  Au3  6  0.0000  0.0000  0.1273  1
  Au  Au4  6  0.0000  0.0000  0.3943  1
]