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 [Cmmm]
_cell_length_a [3.7098]
_cell_length_b [31.3416]
_cell_length_c [3.6554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La2Tb3Hg2]
_chemical_formula_sum '[La4 Tb6 Hg4]'
_cell_volume [425.0199]
_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
[
  La  La0  4  0.0000  0.2954  0.5000  1
  Tb  Tb1  4  0.0000  0.4228  0.5000  1
  Tb  Tb2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  4  0.0000  0.1351  0.0000  1
]