data_[Li1Tl2Sn1Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1147]
_cell_length_b [6.6389]
_cell_length_c [6.8919]
_cell_angle_alpha [79.8851]
_cell_angle_beta [88.5869]
_cell_angle_gamma [87.3044]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiTl2SnHg6]
_chemical_formula_sum '[Li1 Tl2 Sn1 Hg6]'
_cell_volume [275.0863]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1.0
  Tl  Tl1  2  0.2405  0.1022  0.3955  1.0
  Sn  Sn2  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  2  0.1031  0.5969  0.2859  1.0
  Hg  Hg4  2  0.2705  0.6903  0.7919  1.0
  Hg  Hg5  2  0.4236  0.2206  0.8568  1.0
]