data_[La4Tb6Hg4]
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 [C2/m]
_cell_length_a [12.1422]
_cell_length_b [4.8499]
_cell_length_c [8.3386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Tb3Hg2]
_chemical_formula_sum '[La4 Tb6 Hg4]'
_cell_volume [443.5471]
_cell_formula_units_Z [2]
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
[
  Tb  Tb0  4  0.1303  0.5000  0.4594  1.0
  La  La1  4  0.1354  0.0000  0.7894  1.0
  Tb  Tb2  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  4  0.1469  0.0000  0.2018  1.0
]