data_LiHg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   147.05
_cell_angle_beta   128.15
_cell_angle_gamma   62.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHg2Bi
_chemical_formula_sum   'Li1 Hg2 Bi1'
_cell_volume   96.94
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.74  0.0  0.25  1.0
  Hg  Hg2  1  0.0  0.68  0.97  1.0
  Bi  Bi0  1  0.0  0.0  0.22  1.0

data_LiHg2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.35
_cell_length_c   6.12
_cell_angle_alpha   115.93
_cell_angle_beta   106.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHg2Bi
_chemical_formula_sum   'Li1 Hg2 Bi1'
_cell_volume   96.94
_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  0.0  1.0
  Hg  Hg1  1  0.03  0.71  0.71  1.0
  Hg  Hg2  1  0.48  0.75  0.48  1.0
  Bi  Bi3  1  0.78  0.78  0.78  1.0

Li Hg Hg Bi