data_[Pr3Bi9Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.7114]
_cell_length_b [5.7114]
_cell_length_c [28.4665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PrBi3Au8]
_chemical_formula_sum '[Pr3 Bi9 Au24]'
_cell_volume [804.1832]
_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  0.1251  1.0
  Bi  Bi1  3  0.0000  0.0000  0.5031  1.0
  Bi  Bi2  3  0.0000  0.0000  0.6260  1.0
  Bi  Bi3  3  0.0000  0.0000  0.9971  1.0
  Au  Au4  9  0.0012  0.5006  0.0631  1.0
  Au  Au5  9  0.1676  0.3352  0.8950  1.0
  Au  Au6  3  0.0000  0.0000  0.3126  1.0
  Au  Au7  3  0.0000  0.0000  0.8119  1.0
]