data_LaPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   11.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPb3
_chemical_formula_sum   'La4 Pb12'
_cell_volume   491.37
_cell_formula_units_Z   4
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
  La  La0  1  0.0  0.0  0.79  1.0
  La  La1  1  0.0  0.0  0.0  1.0
  La  La2  1  0.5  0.02  0.68  1.0
  La  La3  1  0.0  0.04  0.89  1.0
  Pb  Pb4  1  0.25  0.03  0.79  1.0
  Pb  Pb5  1  0.25  0.03  0.0  1.0
  Pb  Pb6  1  0.75  0.03  0.79  1.0
  Pb  Pb7  1  0.5  0.0  0.79  1.0
  Pb  Pb8  1  0.5  0.0  0.0  1.0
  Pb  Pb9  1  0.75  0.03  0.0  1.0
  Pb  Pb10  1  0.72  0.03  0.68  1.0
  Pb  Pb11  1  0.78  0.03  0.89  1.0
  Pb  Pb12  1  0.28  0.03  0.68  1.0
  Pb  Pb13  1  0.0  0.06  0.68  1.0
  Pb  Pb14  1  0.5  0.01  0.89  1.0
  Pb  Pb15  1  0.22  0.03  0.89  1.0

data_LaPb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   11.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPb3
_chemical_formula_sum   'La4 Pb12'
_cell_volume   491.37
_cell_formula_units_Z   4
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
  La  La0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.0  0.0  0.79  1.0
  La  La2  1  0.0  0.04  0.89  1.0
  La  La3  1  0.5  0.02  0.68  1.0
  Pb  Pb4  1  0.0  0.06  0.68  1.0
  Pb  Pb5  1  0.22  0.03  0.89  1.0
  Pb  Pb6  1  0.25  0.03  -0.0  1.0
  Pb  Pb7  1  0.25  0.03  0.79  1.0
  Pb  Pb8  1  0.28  0.03  0.68  1.0
  Pb  Pb9  1  0.5  0.0  -0.0  1.0
  Pb  Pb10  1  0.5  0.0  0.79  1.0
  Pb  Pb11  1  0.5  0.01  0.89  1.0
  Pb  Pb12  1  0.72  0.03  0.68  1.0
  Pb  Pb13  1  0.75  0.03  -0.0  1.0
  Pb  Pb14  1  0.75  0.03  0.79  1.0
  Pb  Pb15  1  0.78  0.03  0.89  1.0

La La La La Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb
La La La La Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb 0 13 o o o 0 3 o o o 1 3 o o - 2 7 o o o 2 10 o o o 3 11 - o o 4 15 o o o 4 12 o o o 5 15 o o - 6 10 o o o 6 11 o o o 7 14 o o o 8 14 o o - 9 11 o o - 