data_[Pr12Nd4Hg12]
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 [Cmmm]
_cell_length_a [10.8129]
_cell_length_b [10.8817]
_cell_length_c [7.4454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr3NdHg3]
_chemical_formula_sum '[Pr12 Nd4 Hg12]'
_cell_volume [876.0490]
_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  4  0.0000  0.2573  0.5000  1.0
  Pr  Pr1  4  0.2386  0.5000  0.0000  1.0
  Pr  Pr2  4  0.2411  0.5000  0.5000  1.0
  Nd  Nd3  4  0.0000  0.2558  0.0000  1.0
  Hg  Hg4  8  0.2500  0.2500  0.2483  1.0
  Hg  Hg5  4  0.0000  0.0000  0.2477  1.0
]