data_[Li2Tl2In4Hg4]
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
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.0633]
_cell_length_b [8.5900]
_cell_length_c [7.1848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [LiTl(InHg)2]
_chemical_formula_sum '[Li2 Tl2 In4 Hg4]'
_cell_volume [312.4904]
_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  0.5000  0.3130  0.6841  1.0
  Tl  Tl1  2  0.0000  0.4819  0.9912  1.0
  In  In2  2  0.0000  0.1670  0.3363  1.0
  In  In3  2  0.5000  0.0263  0.0225  1.0
  Hg  Hg4  2  0.0000  0.1736  0.7773  1.0
  Hg  Hg5  2  0.5000  0.3542  0.2341  1.0
]