data_[Pr24Rh8Au4]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.5213]
_cell_length_b [10.1180]
_cell_length_c [10.6721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr6Rh2Au]
_chemical_formula_sum '[Pr24 Rh8 Au4]'
_cell_volume [1028.1157]
_cell_formula_units_Z [4]
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  8  0.0000  0.3043  0.2284  1
  Pr  Pr1  8  0.1973  0.0000  0.1675  1
  Pr  Pr2  8  0.2095  0.1761  0.5000  1
  Rh  Rh3  4  0.0000  0.0000  0.3656  1
  Rh  Rh4  4  0.0000  0.1591  0.0000  1
  Au  Au5  2  0.0000  0.5000  0.0000  1
  Au  Au6  2  0.0000  0.5000  0.5000  1
]