data_[Li4Tb4Hg4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3144]
_cell_length_b [14.7700]
_cell_length_c [11.5471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiTbHgTe3]
_chemical_formula_sum '[Li4 Tb4 Hg4 Te12]'
_cell_volume [735.8248]
_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
[
  Li  Li0  4  0.0000  0.1937  0.2500  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  Hg  Hg2  4  0.0000  0.4781  0.7500  1
  Te  Te3  8  0.0000  0.3550  0.5613  1
  Te  Te4  4  0.0000  0.1035  0.7500  1
]