data_[La12Tb12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.2706]
_cell_length_b [12.0199]
_cell_length_c [16.2278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3Tb3Hg2]
_chemical_formula_sum '[La12 Tb12 Hg8]'
_cell_volume [1028.0621]
_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  0.0397  0.6093  1.0
  Tb  Tb1  8  0.0000  0.3598  0.5344  1.0
  La  La2  4  0.0000  0.2913  0.7500  1.0
  Tb  Tb3  4  0.0000  0.4258  0.2500  1.0
  Hg  Hg4  8  0.0000  0.2331  0.1236  1.0
]