data_[Nd2Cd6Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3245]
_cell_length_b [4.9714]
_cell_length_c [12.6554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd(CdHg2)3]
_chemical_formula_sum '[Nd2 Cd6 Hg12]'
_cell_volume [497.9670]
_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
[
  Nd  Nd0  2  0.2810  0.7500  0.3848  1.0
  Cd  Cd1  2  0.0695  0.7500  0.5865  1.0
  Cd  Cd2  2  0.2734  0.2500  0.0130  1.0
  Cd  Cd3  2  0.4823  0.7500  0.1773  1.0
  Hg  Hg4  2  0.0995  0.2500  0.2195  1.0
  Hg  Hg5  2  0.1086  0.7500  0.0773  1.0
  Hg  Hg6  2  0.1285  0.2500  0.7475  1.0
  Hg  Hg7  2  0.2971  0.2500  0.5524  1.0
  Hg  Hg8  2  0.3438  0.7500  0.8892  1.0
  Hg  Hg9  2  0.4931  0.7500  0.6680  1.0
]