data_[Pr24Rh9Au3Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4332]
_cell_length_b [8.4332]
_cell_length_c [23.5190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8Rh3AuBr4]
_chemical_formula_sum '[Pr24 Rh9 Au3 Br12]'
_cell_volume [1448.5376]
_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  18  0.0128  0.5064  0.2673  1
  Pr  Pr1  6  0.0000  0.0000  0.2671  1
  Rh  Rh2  9  0.0000  0.5000  0.0000  1
  Au  Au3  3  -0.0000  -0.0000  0.0000  1
  Br  Br4  9  0.0000  0.5000  0.5000  1
  Br  Br5  3  -0.0000  -0.0000  0.5000  1
]