data_[La12Nd12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.2938]
_cell_length_b [12.1934]
_cell_length_c [16.4176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3Nd3Hg2]
_chemical_formula_sum '[La12 Nd12 Hg8]'
_cell_volume [1059.7506]
_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
[
  La  La0  8  0.0000  0.0391  0.6117  1
  La  La1  4  0.0000  0.2985  0.7500  1
  Nd  Nd2  8  0.0000  0.3605  0.5308  1
  Nd  Nd3  4  0.0000  0.4307  0.2500  1
  Hg  Hg4  8  0.0000  0.2292  0.1286  1
]