data_LiInPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   143.49
_cell_angle_beta   129.1
_cell_angle_gamma   64.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInPb2
_chemical_formula_sum   'Li1 In1 Pb2'
_cell_volume   108.29
_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  0.0  0.0  0.67  1.0
  In  In0  1  0.94  0.0  0.07  1.0
  Pb  Pb2  1  0.94  0.0  0.18  1.0
  Pb  Pb3  1  0.0  0.0  0.82  1.0

data_LiInPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   5.32
_cell_length_c   6.19
_cell_angle_alpha   115.45
_cell_angle_beta   108.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInPb2
_chemical_formula_sum   'Li1 In1 Pb2'
_cell_volume   108.29
_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  0.67  0.67  1.0
  In  In1  1  0.0  0.07  0.13  1.0
  Pb  Pb2  1  0.0  0.18  0.24  1.0
  Pb  Pb3  1  0.0  0.82  0.82  1.0

Li In Pb Pb
Li In Pb Pb 0 3 o o o 1 2 o o o 