data_[La24Cd4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [10.3337]
_cell_length_b [10.4985]
_cell_length_c [11.0339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La6CdHg2]
_chemical_formula_sum '[La24 Cd4 Hg8]'
_cell_volume [1197.0519]
_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  0.0000  0.2754  0.3269  1.0
  La  La1  8  0.1808  0.2722  0.0000  1.0
  La  La2  8  0.1954  0.0000  0.2529  1.0
  Cd  Cd3  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd4  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg5  4  0.0000  0.5000  0.1348  1.0
  Hg  Hg6  4  0.1498  0.5000  0.5000  1.0
]