data_LiZn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   4.34
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   105.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZn2Pb
_chemical_formula_sum   'Li1 Zn2 Pb1'
_cell_volume   81.72
_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  0.26  0.0  0.51  1.0
  Zn  Zn2  1  0.59  0.0  0.15  1.0
  Zn  Zn3  1  0.63  0.17  0.49  1.0
  Pb  Pb1  1  0.76  0.17  0.4  1.0

data_LiZn2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.34
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   105.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZn2Pb
_chemical_formula_sum   'Li1 Zn2 Pb1'
_cell_volume   81.72
_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  0.26  0.0  0.51  1.0
  Zn  Zn1  1  0.59  0.0  0.15  1.0
  Zn  Zn2  1  0.63  0.17  0.49  1.0
  Pb  Pb3  1  0.76  0.17  0.4  1.0

Li Zn Zn Pb
Li Zn Zn Pb 0 2 o o o 1 3 o o o 2 3 o o o 