data_[La4Nd6Hg4]
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 [C2/m]
_cell_length_a [12.3310]
_cell_length_b [4.8359]
_cell_length_c [8.4862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Nd3Hg2]
_chemical_formula_sum '[La4 Nd6 Hg4]'
_cell_volume [464.0930]
_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
[
  La  La0  4  0.1395  0.0000  0.7962  1.0
  Nd  Nd1  4  0.1283  0.5000  0.4618  1.0
  Nd  Nd2  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  4  0.1508  0.0000  0.2031  1.0
]