data_[Pr8Cu4Au8]
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 [C2/m]
_cell_length_a [10.9083]
_cell_length_b [4.3005]
_cell_length_c [11.2847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2CuAu2]
_chemical_formula_sum '[Pr8 Cu4 Au8]'
_cell_volume [479.9731]
_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  0.0185  0.0000  0.3446  1.0
  Pr  Pr1  4  0.1886  0.0000  0.1161  1.0
  Cu  Cu2  4  0.2137  0.5000  0.3293  1.0
  Au  Au3  4  0.0279  0.5000  0.8826  1.0
  Au  Au4  4  0.1488  0.5000  0.5683  1.0
]