data_[La20Nd4Hg4]
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/c]
_cell_length_a [8.8854]
_cell_length_b [8.7133]
_cell_length_c [12.8382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5NdHg]
_chemical_formula_sum '[La20 Nd4 Hg4]'
_cell_volume [967.1521]
_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  0.1503  0.3625  0.0646  1.0
  La  La1  8  0.2103  0.3223  0.3644  1.0
  La  La2  4  0.0000  0.0317  0.2500  1.0
  Nd  Nd3  4  0.0000  0.3593  0.7500  1.0
  Hg  Hg4  4  0.0000  0.0000  0.0000  1.0
]