data_[Pr20Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.6294]
_cell_length_b [7.0438]
_cell_length_c [7.2807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr5Au2]
_chemical_formula_sum '[Pr20 Au8]'
_cell_volume [899.7201]
_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  8  0.0922  0.1130  0.4467  1.0
  Pr  Pr1  8  0.2229  0.4332  0.7943  1.0
  Pr  Pr2  4  0.0000  0.4402  0.7500  1.0
  Au  Au3  8  0.1123  0.2984  0.0659  1.0
]