data_Li2PPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   150.55
_cell_angle_beta   141.66
_cell_angle_gamma   49.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2PPb
_chemical_formula_sum   'Li2 P1 Pb1'
_cell_volume   81.26
_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  0.7  1.0
  Li  Li1  1  0.64  0.0  0.77  1.0
  P  P2  1  0.0  0.0  0.73  1.0
  Pb  Pb3  1  0.0  0.12  0.25  1.0

data_Li2PPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.23
_cell_length_c   6.44
_cell_angle_alpha   109.17
_cell_angle_beta   104.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2PPb
_chemical_formula_sum   'Li2 P1 Pb1'
_cell_volume   81.26
_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  0.7  0.7  1.0
  Li  Li1  1  0.0  0.77  0.13  1.0
  P  P2  1  0.0  0.73  0.73  1.0
  Pb  Pb3  1  0.88  0.13  0.13  1.0

Li Li P Pb
Li Li P Pb 0 2 o o o 1 3 + o + 