data_[Pr4Sn12Au6]
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 [I4mm]
_cell_length_a [4.5794]
_cell_length_b [4.5794]
_cell_length_c [27.3039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Pr2(Sn2Au)3]
_chemical_formula_sum '[Pr4 Sn12 Au6]'
_cell_volume [572.5901]
_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  2  0.0000  0.0000  0.6856  1.0
  Pr  Pr1  2  0.0000  0.0000  0.9938  1.0
  Sn  Sn2  4  0.0000  0.5000  0.2955  1.0
  Sn  Sn3  4  0.0000  0.5000  0.4031  1.0
  Sn  Sn4  2  0.0000  0.0000  0.1401  1.0
  Sn  Sn5  2  0.0000  0.0000  0.5192  1.0
  Au  Au6  4  0.0000  0.5000  0.0842  1.0
  Au  Au7  2  0.0000  0.0000  0.2365  1.0
]