data_Fe2PPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   135.53
_cell_angle_beta   135.53
_cell_angle_gamma   64.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2PPb
_chemical_formula_sum   'Fe2 P1 Pb1'
_cell_volume   64.61
_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
  Fe  Fe0  1  0.0  0.0  0.32  1.0
  Fe  Fe1  1  0.0  0.93  0.16  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.93  0.0  0.16  1.0

data_Fe2PPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.11
_cell_angle_alpha   112.23
_cell_angle_beta   112.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2PPb
_chemical_formula_sum   'Fe2 P1 Pb1'
_cell_volume   64.61
_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
  Fe  Fe0  1  0.22  0.16  0.22  1.0
  Fe  Fe1  1  0.32  0.32  0.32  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.16  0.22  0.22  1.0

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