data_[Pr22Hg18Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [14.8410]
_cell_length_b [22.3029]
_cell_length_c [3.8290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr11Hg9Rh4]
_chemical_formula_sum '[Pr22 Hg18 Rh8]'
_cell_volume [1267.3898]
_cell_formula_units_Z [2]
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  0.2472  0.1683  0.0000  1
  Pr  Pr1  4  0.0000  0.1651  0.0000  1
  Pr  Pr2  4  0.0000  0.3730  0.0000  1
  Pr  Pr3  4  0.1947  0.5000  0.0000  1
  Pr  Pr4  2  0.0000  0.0000  0.0000  1
  Hg  Hg5  8  0.1059  0.2626  0.5000  1
  Hg  Hg6  8  0.1415  0.0730  0.5000  1
  Hg  Hg7  2  0.0000  0.5000  0.5000  1
  Rh  Rh8  8  0.1502  0.4000  0.5000  1
]