data_LaFePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   131.83
_cell_angle_beta   131.83
_cell_angle_gamma   70.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFePb2
_chemical_formula_sum   'La1 Fe1 Pb2'
_cell_volume   109.41
_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  La1  1  0.39  0.0  0.39  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.78  1.0
  Pb  Pb3  1  0.0  0.39  0.39  1.0

data_LaFePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.86
_cell_angle_alpha   114.09
_cell_angle_beta   114.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFePb2
_chemical_formula_sum   'La1 Fe1 Pb2'
_cell_volume   109.41
_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  0.61  0.0  1.0  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.22  0.0  0.22  1.0
  Pb  Pb3  1  1.0  0.39  1.0  1.0

La Fe Pb Pb