data_[La32Ni16Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [11.3954]
_cell_length_b [15.2559]
_cell_length_c [8.7916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [La4Ni2Hg]
_chemical_formula_sum '[La32 Ni16 Hg8]'
_cell_volume [1528.3884]
_cell_formula_units_Z [8]
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  16  0.0418  0.3875  0.1657  1.0
  La  La1  16  0.1100  0.3122  0.5783  1.0
  Ni  Ni2  16  0.0514  0.2954  0.8805  1.0
  Hg  Hg3  8  0.0000  0.0000  0.0015  1.0
]