data_[Nd4Cd2Hg12]
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 [C2/m]
_cell_length_a [8.5819]
_cell_length_b [8.8512]
_cell_length_c [6.0483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2CdHg6]
_chemical_formula_sum '[Nd4 Cd2 Hg12]'
_cell_volume [459.0185]
_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  4  0.1746  0.5000  0.6787  1
  Cd  Cd1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  8  0.1681  0.3335  0.1690  1
  Hg  Hg3  4  0.0000  0.1648  0.5000  1
]