data_[Nd12Hg6Sb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3229]
_cell_length_b [5.3229]
_cell_length_c [27.0566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd4Hg2Sb]
_chemical_formula_sum '[Nd12 Hg6 Sb3]'
_cell_volume [663.8887]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1252  1
  Nd  Nd1  6  0.0000  0.0000  0.3769  1
  Hg  Hg2  6  0.0000  0.0000  0.2406  1
  Sb  Sb3  3  0.0000  0.0000  0.0000  1
]