data_[Pr24Hg18]
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
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.6568]
_cell_length_b [14.6568]
_cell_length_c [6.6895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr4Hg3]
_chemical_formula_sum '[Pr24 Hg18]'
_cell_volume [1244.5215]
_cell_formula_units_Z [6]
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  0.0507  0.8016  0.1739  1.0
  Pr  Pr1  3  0.0000  0.0000  0.0000  1.0
  Pr  Pr2  3  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  18  0.0485  0.8196  0.6841  1.0
]