data_BaFePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   148.11
_cell_angle_beta   146.7
_cell_angle_gamma   46.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFePb
_chemical_formula_sum   'Ba1 Fe1 Pb1'
_cell_volume   86.88
_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
  Ba  Ba0  1  0.0  0.0  0.05  1.0
  Fe  Fe1  1  0.0  0.0  0.73  1.0
  Pb  Pb2  1  0.0  0.0  0.51  1.0

data_BaFePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.84
_cell_length_c   6.7
_cell_angle_alpha   106.65
_cell_angle_beta   105.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFePb
_chemical_formula_sum   'Ba1 Fe1 Pb1'
_cell_volume   86.88
_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
  Ba  Ba0  1  0.95  0.95  0.95  1.0
  Fe  Fe1  1  0.27  0.27  0.27  1.0
  Pb  Pb2  1  0.49  0.49  0.49  1.0

Ba Fe Pb
Ba Fe Pb 0 1 o o - 1 2 o o o 