data_LiHg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   4.66
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   93.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHg2Sb
_chemical_formula_sum   'Li1 Hg2 Sb1'
_cell_volume   97.35
_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  Li2  1  0.12  0.0  0.27  1.0
  Hg  Hg0  1  0.32  0.0  0.2  1.0
  Hg  Hg1  1  0.62  0.33  0.44  1.0
  Sb  Sb3  1  0.45  0.33  0.36  1.0

data_LiHg2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.66
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   93.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHg2Sb
_chemical_formula_sum   'Li1 Hg2 Sb1'
_cell_volume   97.35
_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  0.12  0.0  0.27  1.0
  Hg  Hg1  1  0.32  0.0  0.2  1.0
  Hg  Hg2  1  0.62  0.33  0.44  1.0
  Sb  Sb3  1  0.45  0.33  0.36  1.0

Li Hg Hg Sb
Li Hg Hg Sb 0 1 o o o 2 3 o o o 