data_LiHgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.17
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgSe2
_chemical_formula_sum   'Li1 Hg1 Se2'
_cell_volume   94.6
_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  0.0  0.0  0.58  1.0
  Hg  Hg0  1  0.58  0.09  0.34  1.0
  Se  Se2  1  0.58  0.09  0.95  1.0
  Se  Se3  1  0.0  0.0  0.05  1.0

data_LiHgSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.17
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgSe2
_chemical_formula_sum   'Li1 Hg1 Se2'
_cell_volume   94.6
_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  0.0  0.0  0.58  1.0
  Hg  Hg1  1  0.58  0.09  0.34  1.0
  Se  Se2  1  0.0  0.0  0.05  1.0
  Se  Se3  1  0.58  0.09  0.95  1.0

Li Hg Se Se