data_[Pr20Te4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.5129]
_cell_length_b [8.5129]
_cell_length_c [13.2982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Pr5TeAu2]
_chemical_formula_sum '[Pr20 Te4 Au8]'
_cell_volume [963.7214]
_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  16  0.1537  0.3463  0.1434  1
  Pr  Pr1  4  0.0000  0.0000  0.0000  1
  Te  Te2  4  0.0000  0.0000  0.2500  1
  Au  Au3  8  0.1371  0.3629  0.5000  1
]