data_[La12Hg20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [12.3515]
_cell_length_b [12.3515]
_cell_length_c [6.0384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [La3Hg5]
_chemical_formula_sum '[La12 Hg20]'
_cell_volume [921.2192]
_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  0.1658  0.3342  0.5000  1.0
  La  La1  4  0.0000  0.0000  0.2500  1.0
  Hg  Hg2  16  0.0785  0.2368  0.0000  1.0
  Hg  Hg3  4  0.0000  0.5000  0.2500  1.0
]