data_[Pr9Ni24Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0855]
_cell_length_b [5.0855]
_cell_length_c [25.1638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pr3Ni8Au]
_chemical_formula_sum '[Pr9 Ni24 Au3]'
_cell_volume [563.6018]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0090  1.0
  Pr  Pr1  3  0.0000  0.0000  0.4932  1.0
  Pr  Pr2  3  0.0000  0.0000  0.6225  1.0
  Ni  Ni3  9  0.1681  0.3361  0.8945  1.0
  Ni  Ni4  9  0.1684  0.3367  0.3961  1.0
  Ni  Ni5  3  0.0000  0.0000  0.3124  1.0
  Ni  Ni6  3  0.0000  0.0000  0.8118  1.0
  Au  Au7  3  0.0000  0.0000  0.1292  1.0
]