data_[La4Cd4Hg12]
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 [Cmcm]
_cell_length_a [5.1956]
_cell_length_b [18.7023]
_cell_length_c [5.2956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaCdHg3]
_chemical_formula_sum '[La4 Cd4 Hg12]'
_cell_volume [514.5755]
_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  0.0000  0.3508  0.7500  1
  Cd  Cd1  4  0.0000  0.1505  0.7500  1
  Hg  Hg2  4  0.0000  0.0468  0.2500  1
  Hg  Hg3  4  0.0000  0.2516  0.2500  1
  Hg  Hg4  4  0.0000  0.4538  0.2500  1
]