data_LiPPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   12.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPPb
_chemical_formula_sum   'Li3 P3 Pb3'
_cell_volume   190.51
_cell_formula_units_Z   3
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  0.47  0.12  1.0
  Li  Li1  1  0.0  0.47  0.91  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.05  1.0
  P  P4  1  0.0  0.0  0.98  1.0
  P  P5  1  0.0  0.47  0.0  1.0
  Pb  Pb6  1  0.14  0.23  0.03  1.0
  Pb  Pb7  1  0.14  0.23  0.99  1.0
  Pb  Pb8  1  0.14  0.23  0.01  1.0

data_LiPPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   12.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPPb
_chemical_formula_sum   'Li3 P3 Pb3'
_cell_volume   190.51
_cell_formula_units_Z   3
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  0.47  0.12  1.0
  Li  Li1  1  -0.0  0.47  0.91  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  P  P3  1  -0.0  0.47  0.0  1.0
  P  P4  1  0.0  0.0  0.05  1.0
  P  P5  1  0.0  0.0  0.98  1.0
  Pb  Pb6  1  0.14  0.23  0.01  1.0
  Pb  Pb7  1  0.14  0.23  0.03  1.0
  Pb  Pb8  1  0.14  0.23  0.99  1.0

Li Li Li P P P Pb Pb Pb