data_LaFe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   5.76
_cell_angle_alpha   118.17
_cell_angle_beta   118.17
_cell_angle_gamma   51.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe2Pb
_chemical_formula_sum   'La1 Fe2 Pb1'
_cell_volume   88.05
_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  La2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.15  0.0  0.78  1.0
  Fe  Fe1  1  0.5  0.0  0.13  1.0
  Pb  Pb3  1  0.83  0.0  0.45  1.0

data_LaFe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.8
_cell_length_c   5.49
_cell_angle_alpha   67.71
_cell_angle_beta   67.85
_cell_angle_gamma   64.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe2Pb
_chemical_formula_sum   'La1 Fe2 Pb1'
_cell_volume   88.05
_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  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.37  0.78  1.0
  Fe  Fe2  1  0.0  0.38  0.13  1.0
  Pb  Pb3  1  0.0  0.37  0.45  1.0

La Fe Fe Pb
La Fe Fe Pb 0 1 o o - 0 2 o o o 1 3 - o o 1 2 o o + 2 3 o o o 