data_La5Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   8.79
_cell_angle_alpha   104.11
_cell_angle_beta   104.11
_cell_angle_gamma   32.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Pb
_chemical_formula_sum   'La5 Pb1'
_cell_volume   210.76
_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
  La  La0  1  0.98  0.0  0.44  1.0
  La  La1  1  0.04  0.0  0.79  1.0
  La  La2  1  0.71  0.0  0.85  1.0
  La  La3  1  0.44  0.0  0.15  1.0
  La  La4  1  0.34  0.0  0.28  1.0
  Pb  Pb5  1  0.43  0.0  0.07  1.0

data_La5Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   6.84
_cell_length_c   8.79
_cell_angle_alpha   104.11
_cell_angle_beta   90.0
_cell_angle_gamma   106.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Pb
_chemical_formula_sum   'La5 Pb1'
_cell_volume   210.76
_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
  La  La0  1  0.0  0.02  0.56  1.0
  La  La1  1  0.0  0.29  0.15  1.0
  La  La2  1  0.0  0.56  0.85  1.0
  La  La3  1  0.0  0.66  0.72  1.0
  La  La4  1  0.0  0.96  0.21  1.0
  Pb  Pb5  1  0.0  0.57  0.93  1.0

La La La La La Pb