data_[Pr1Ag8Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.5069]
_cell_length_b [5.5069]
_cell_length_c [9.0789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PrAg8Au3]
_chemical_formula_sum '[Pr1 Ag8 Au3]'
_cell_volume [238.4397]
_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  0.5609  1
  Ag  Ag1  3  0.1638  0.3277  0.2438  1
  Ag  Ag2  3  0.5031  0.0062  0.7583  1
  Ag  Ag3  1  0.3333  0.6667  0.0003  1
  Ag  Ag4  1  0.3333  0.6667  0.4985  1
  Au  Au5  1  0.0000  0.0000  0.9185  1
  Au  Au6  1  0.6667  0.3333  0.0622  1
  Au  Au7  1  0.6667  0.3333  0.4535  1
]