data_[La8Cd4Hg20]
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 [4.4734]
_cell_length_b [18.6228]
_cell_length_c [10.4998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La2CdHg5]
_chemical_formula_sum '[La8 Cd4 Hg20]'
_cell_volume [874.7150]
_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  0.0000  0.0000  1
  La  La1  4  0.0000  0.1968  0.2500  1
  Cd  Cd2  4  0.0000  0.4573  0.7500  1
  Hg  Hg3  8  0.0000  0.2010  0.6016  1
  Hg  Hg4  8  0.0000  0.3663  0.5341  1
  Hg  Hg5  4  0.0000  0.3928  0.2500  1
]