data_[Pr12Nd6Hg2]
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 [P2_1/m]
_cell_length_a [9.2423]
_cell_length_b [5.8085]
_cell_length_c [13.3168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr6Nd3Hg]
_chemical_formula_sum '[Pr12 Nd6 Hg2]'
_cell_volume [689.6958]
_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  2  0.1454  0.2500  0.7182  1
  Pr  Pr1  2  0.1633  0.2500  0.2400  1
  Pr  Pr2  2  0.2173  0.7500  0.8949  1
  Pr  Pr3  2  0.3579  0.2500  0.5198  1
  Pr  Pr4  2  0.4078  0.7500  0.1855  1
  Pr  Pr5  2  0.4213  0.7500  0.6956  1
  Nd  Nd6  2  0.0006  0.2500  0.9334  1
  Nd  Nd7  2  0.0668  0.7500  0.5549  1
  Nd  Nd8  2  0.3922  0.2500  0.0259  1
  Hg  Hg9  2  0.2475  0.7500  0.3797  1
]