data_Li2NbHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.78
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   93.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbHg
_chemical_formula_sum   'Li2 Nb1 Hg1'
_cell_volume   71.08
_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  0.62  0.39  0.1  1.0
  Li  Li2  1  0.78  0.39  0.31  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.2  0.0  0.71  1.0

data_Li2NbHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.78
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   93.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbHg
_chemical_formula_sum   'Li2 Nb1 Hg1'
_cell_volume   71.08
_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  0.62  0.39  0.1  1.0
  Li  Li1  1  0.78  0.39  0.31  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.2  0.0  0.71  1.0

Li Li Nb Hg