data_[Li2Tb2Hg6S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3744]
_cell_length_b [7.6836]
_cell_length_c [11.6354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8763]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTbHg3S4]
_chemical_formula_sum '[Li2 Tb2 Hg6 S8]'
_cell_volume [569.8188]
_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  0.2661  0.2500  0.1138  1
  Tb  Tb1  2  0.3825  0.2500  0.7149  1
  Hg  Hg2  4  0.2994  0.0230  0.4551  1
  Hg  Hg3  2  0.1361  0.7500  0.1658  1
  S  S4  4  0.3591  0.0078  0.2302  1
  S  S5  2  0.0449  0.2500  0.5555  1
  S  S6  2  0.2126  0.2500  0.9140  1
]