data_[La12Nd8Hg4]
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 [6.3554]
_cell_length_b [11.0131]
_cell_length_c [11.7308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Nd2Hg]
_chemical_formula_sum '[La12 Nd8 Hg4]'
_cell_volume [807.4389]
_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  0.2480  0.3264  0.7624  1
  La  La1  4  0.2336  0.5000  0.2375  1
  Nd  Nd2  4  0.0000  0.1630  0.5000  1
  Nd  Nd3  2  0.0000  0.0000  0.0000  1
  Nd  Nd4  2  0.0000  0.5000  0.5000  1
  Hg  Hg5  4  0.0000  0.3328  0.0000  1
]