data_LiHgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33
_cell_length_b   7.24
_cell_length_c   3.31
_cell_angle_alpha   78.46
_cell_angle_beta   75.28
_cell_angle_gamma   26.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgTe
_chemical_formula_sum   'Li1 Hg1 Te1'
_cell_volume   75.13
_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  Li1  1  0.19  0.48  0.27  1.0
  Hg  Hg0  1  0.19  0.48  0.29  1.0
  Te  Te2  1  0.19  0.48  0.24  1.0

data_LiHgTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.38
_cell_length_b   13.8
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   131.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiHgTe
_chemical_formula_sum   'Li2 Hg2 Te2'
_cell_volume   150.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.05  0.0  0.53  1.0
  Hg  Hg1  2  0.04  0.0  0.52  1.0
  Te  Te2  2  0.09  0.0  0.57  1.0

Li Hg Te