data_LiHgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.6
_cell_angle_alpha   98.58
_cell_angle_beta   98.58
_cell_angle_gamma   34.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgBi2
_chemical_formula_sum   'Li1 Hg1 Bi2'
_cell_volume   109.26
_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  Li3  1  0.14  0.0  0.12  1.0
  Hg  Hg2  1  0.23  0.0  0.83  1.0
  Bi  Bi0  1  0.33  0.0  0.47  1.0
  Bi  Bi1  1  0.22  0.0  0.42  1.0

data_LiHgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.6
_cell_length_c   5.89
_cell_angle_alpha   98.58
_cell_angle_beta   107.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgBi2
_chemical_formula_sum   'Li1 Hg1 Bi2'
_cell_volume   109.26
_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  0.12  0.14  1.0
  Hg  Hg1  1  0.0  0.83  0.23  1.0
  Bi  Bi2  1  0.0  0.42  0.22  1.0
  Bi  Bi3  1  0.0  0.47  0.33  1.0

Li Hg Bi Bi
Li Hg Bi Bi 0 1 o o - 0 3 o o o 1 2 o o o 2 3 o o o 