data_[Pr16Cu4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7909]
_cell_length_b [13.7177]
_cell_length_c [5.9292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Pr8Cu2Au]
_chemical_formula_sum '[Pr16 Cu4 Au2]'
_cell_volume [678.6223]
_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  4  0.2164  0.1260  0.5851  1
  Pr  Pr1  4  0.2867  0.3733  0.3807  1
  Pr  Pr2  4  0.4973  0.2771  0.9868  1
  Pr  Pr3  2  0.1282  0.5000  0.8040  1
  Pr  Pr4  2  0.3861  0.0000  0.1788  1
  Cu  Cu5  4  0.0049  0.3043  0.4932  1
  Au  Au6  2  0.0091  0.0000  0.1251  1
]