data_[Li1Tl4Hg7]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1233]
_cell_length_b [6.4289]
_cell_length_c [10.2586]
_cell_angle_alpha [73.4188]
_cell_angle_beta [79.1391]
_cell_angle_gamma [63.2603]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiTl4Hg7]
_chemical_formula_sum '[Li1 Tl4 Hg7]'
_cell_volume [344.8058]
_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  0.0000  0.0000  0.0000  1
  Tl  Tl1  2  0.2026  0.3352  0.7247  1
  Tl  Tl2  2  0.4274  0.7284  0.7128  1
  Hg  Hg3  2  0.1356  0.1849  0.4651  1
  Hg  Hg4  2  0.1994  0.8854  0.2625  1
  Hg  Hg5  2  0.2282  0.5130  0.0325  1
  Hg  Hg6  1  0.5000  0.0000  0.0000  1
]