data_[Li2Tb2Hg6Te8]
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 [P2_1/m]
_cell_length_a [7.5718]
_cell_length_b [8.1594]
_cell_length_c [10.8071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTbHg3Te4]
_chemical_formula_sum '[Li2 Tb2 Hg6 Te8]'
_cell_volume [632.6470]
_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
[
  Li  Li0  2  0.0238  0.2500  0.3141  1
  Tb  Tb1  2  0.4734  0.7500  0.1804  1
  Hg  Hg2  4  0.2086  0.0717  0.9614  1
  Hg  Hg3  2  0.0609  0.7500  0.2949  1
  Te  Te4  4  0.2604  0.0242  0.2433  1
  Te  Te5  2  0.1972  0.2500  0.5782  1
  Te  Te6  2  0.3259  0.7500  0.8775  1
]