data_LaPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   17.29
_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   'La6 Pb18'
_cell_volume   737.47
_cell_formula_units_Z   6
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  0.32  1.0
  La  La1  1  0.0  0.0  0.97  1.0
  La  La2  1  0.51  0.03  0.93  1.0
  La  La3  1  0.51  0.03  0.01  1.0
  La  La4  1  0.0  0.05  0.29  1.0
  La  La5  1  0.0  0.05  0.36  1.0
  Pb  Pb6  1  0.51  0.04  0.32  1.0
  Pb  Pb7  1  0.23  0.02  0.32  1.0
  Pb  Pb8  1  0.79  0.02  0.32  1.0
  Pb  Pb9  1  0.0  0.04  0.97  1.0
  Pb  Pb10  1  0.28  0.06  0.97  1.0
  Pb  Pb11  1  0.72  0.06  0.97  1.0
  Pb  Pb12  1  0.51  0.05  0.19  1.0
  Pb  Pb13  1  0.75  0.01  0.19  1.0
  Pb  Pb14  1  0.26  0.01  0.19  1.0
  Pb  Pb15  1  0.51  0.05  0.45  1.0
  Pb  Pb16  1  0.75  0.01  0.45  1.0
  Pb  Pb17  1  0.26  0.01  0.45  1.0
  Pb  Pb18  1  0.0  0.03  0.1  1.0
  Pb  Pb19  1  0.75  0.06  0.1  1.0
  Pb  Pb20  1  0.25  0.06  0.1  1.0
  Pb  Pb21  1  0.0  0.03  0.84  1.0
  Pb  Pb22  1  0.75  0.06  0.84  1.0
  Pb  Pb23  1  0.25  0.06  0.84  1.0

data_LaPb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   17.29
_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   'La6 Pb18'
_cell_volume   737.47
_cell_formula_units_Z   6
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  0.05  0.29  1.0
  La  La1  1  -0.0  0.05  0.36  1.0
  La  La2  1  0.0  0.0  0.32  1.0
  La  La3  1  0.0  0.0  0.97  1.0
  La  La4  1  0.51  0.03  0.01  1.0
  La  La5  1  0.51  0.03  0.93  1.0
  Pb  Pb6  1  -0.0  0.04  0.97  1.0
  Pb  Pb7  1  -0.0  0.03  0.1  1.0
  Pb  Pb8  1  -0.0  0.03  0.84  1.0
  Pb  Pb9  1  0.23  0.02  0.32  1.0
  Pb  Pb10  1  0.25  0.06  0.1  1.0
  Pb  Pb11  1  0.25  0.06  0.84  1.0
  Pb  Pb12  1  0.26  0.01  0.19  1.0
  Pb  Pb13  1  0.26  0.01  0.45  1.0
  Pb  Pb14  1  0.28  0.06  0.97  1.0
  Pb  Pb15  1  0.51  0.04  0.32  1.0
  Pb  Pb16  1  0.51  0.05  0.19  1.0
  Pb  Pb17  1  0.51  0.05  0.45  1.0
  Pb  Pb18  1  0.72  0.06  0.97  1.0
  Pb  Pb19  1  0.75  0.06  0.1  1.0
  Pb  Pb20  1  0.75  0.06  0.84  1.0
  Pb  Pb21  1  0.75  0.01  0.19  1.0
  Pb  Pb22  1  0.75  0.01  0.45  1.0
  Pb  Pb23  1  0.79  0.02  0.32  1.0

La La La La La La Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb