data_LiSi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.81
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   96.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSi2Pb
_chemical_formula_sum   'Li1 Si2 Pb1'
_cell_volume   81.06
_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  0.29  0.0  0.96  1.0
  Si  Si2  1  0.7  0.0  0.47  1.0
  Si  Si3  1  0.85  0.91  0.91  1.0
  Pb  Pb1  1  0.73  0.91  0.03  1.0

data_LiSi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.81
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   96.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSi2Pb
_chemical_formula_sum   'Li1 Si2 Pb1'
_cell_volume   81.06
_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  0.29  0.0  0.96  1.0
  Si  Si1  1  0.7  0.0  0.47  1.0
  Si  Si2  1  0.85  0.91  0.91  1.0
  Pb  Pb3  1  0.73  0.91  0.03  1.0

Li Si Si Pb
Li Si Si Pb 0 2 - - o 0 3 o - + 0 1 o o + 0 1 o o o 0 1 - o o 1 1 + o o 1 3 o - o 1 2 o - o 2 3 o o + 