data_Li2NbPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.28
_cell_length_b   10.28
_cell_length_c   10.28
_cell_angle_alpha   17.19
_cell_angle_beta   17.19
_cell_angle_gamma   17.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbPb
_chemical_formula_sum   'Li2 Nb1 Pb1'
_cell_volume   82.71
_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  0.0  0.6  1.0
  Li  Li1  1  0.0  0.0  0.77  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.19  1.0

data_Li2NbPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   3.07
_cell_length_c   10.28
_cell_angle_alpha   90.0
_cell_angle_beta   99.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2NbPb
_chemical_formula_sum   'Li4 Nb2 Pb2'
_cell_volume   165.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.23  1.0
  Li  Li1  2  0.0  0.0  0.4  1.0
  Nb  Nb2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.81  1.0

Li Li Nb Pb
Li Li Nb Pb 0 1 o o o 2 3 o o o 