data_[La12Nd4Hg4]
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 [P2_1/c]
_cell_length_a [9.8040]
_cell_length_b [6.9444]
_cell_length_c [11.9637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La3NdHg]
_chemical_formula_sum '[La12 Nd4 Hg4]'
_cell_volume [674.2807]
_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  0.0382  0.1019  0.8022  1.0
  La  La1  4  0.3567  0.1458  0.2353  1.0
  La  La2  4  0.3650  0.6431  0.3769  1.0
  Nd  Nd3  4  0.1034  0.7276  0.0220  1.0
  Hg  Hg4  4  0.3178  0.0749  0.4932  1.0
]