data_[Pr4Sn4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5528]
_cell_length_b [7.6912]
_cell_length_c [8.4887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PrSnAu3]
_chemical_formula_sum '[Pr4 Sn4 Au12]'
_cell_volume [464.9176]
_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  4  0.3047  0.0433  0.7621  1
  Sn  Sn1  4  0.1005  0.7238  0.4619  1
  Au  Au2  4  0.1131  0.1108  0.3711  1
  Au  Au3  4  0.2936  0.0728  0.1321  1
  Au  Au4  4  0.4674  0.6824  0.9707  1
]