data_[Pr1Cu8Au3]
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 [P3m1]
_cell_length_a [5.0302]
_cell_length_b [5.0302]
_cell_length_c [8.2404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PrCu8Au3]
_chemical_formula_sum '[Pr1 Cu8 Au3]'
_cell_volume [180.5720]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5637  1
  Cu  Cu1  3  0.1662  0.3325  0.2413  1
  Cu  Cu2  3  0.5022  0.0043  0.7628  1
  Cu  Cu3  1  0.3333  0.6667  0.4978  1
  Cu  Cu4  1  0.3333  0.6667  0.9987  1
  Au  Au5  1  0.0000  0.0000  0.9461  1
  Au  Au6  1  0.6667  0.3333  0.0602  1
  Au  Au7  1  0.6667  0.3333  0.4213  1
]