data_[Pr24Nd4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.8672]
_cell_length_b [11.7838]
_cell_length_c [6.3257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr6NdHg2]
_chemical_formula_sum '[Pr24 Nd4 Hg8]'
_cell_volume [1176.4748]
_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  0.0580  0.3792  0.5052  1.0
  Pr  Pr1  8  0.1175  0.1519  0.8112  1.0
  Pr  Pr2  8  0.2271  0.1249  0.3314  1.0
  Nd  Nd3  4  0.0000  0.1052  0.2500  1.0
  Hg  Hg4  8  0.1652  0.3732  0.0968  1.0
]