# generated using pymatgen
data_LiTlHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.22476051
_cell_length_b   12.22476051
_cell_length_c   12.22476051
_cell_angle_alpha   123.49921868
_cell_angle_beta   122.91893729
_cell_angle_gamma   84.52694986
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlHg2
_chemical_formula_sum   'Li1 Tl1 Hg2'
_cell_volume   1223.02774328
_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  0.00000000  0.00000000  0.00000000  1
  Tl  Tl1  1  0.50000000  0.00000000  0.50000000  1
  Hg  Hg2  1  0.76834800  0.00000000  0.76834800  1
  Hg  Hg3  1  0.23165200  0.00000000  0.23165200  1
