data_[La6Ga16Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4267]
_cell_length_b [10.1509]
_cell_length_c [14.0050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3Ga8Hg3]
_chemical_formula_sum '[La6 Ga16 Hg6]'
_cell_volume [629.3225]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.1817  1
  La  La1  2  0.0000  0.0000  0.5000  1
  Ga  Ga2  8  0.0000  0.2679  0.3421  1
  Ga  Ga3  8  0.0000  0.3744  0.1655  1
  Hg  Hg4  4  0.0000  0.2231  0.0000  1
  Hg  Hg5  2  0.0000  0.5000  0.5000  1
]