data_[La4Nd12Hg8]
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 [16.5727]
_cell_length_b [5.5236]
_cell_length_c [9.1664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaNd3Hg2]
_chemical_formula_sum '[La4 Nd12 Hg8]'
_cell_volume [754.4998]
_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  4  0.1299  0.0000  0.1885  1
  Nd  Nd1  4  0.0622  0.0000  0.7211  1
  Nd  Nd2  4  0.1208  0.5000  0.5354  1
  Nd  Nd3  4  0.1945  0.5000  0.0086  1
  Hg  Hg4  4  0.0115  0.5000  0.1679  1
  Hg  Hg5  4  0.2262  0.0000  0.5984  1
]