data_Fe2RePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2RePb
_chemical_formula_sum   'Fe2 Re1 Pb1'
_cell_volume   60.08
_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  0.44  0.44  0.55  1.0
  Fe  Fe1  1  0.44  0.44  0.68  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.62  1.0

data_Fe2RePb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2RePb
_chemical_formula_sum   'Fe4 Re2 Pb2'
_cell_volume   120.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.44  0.0  0.55  1.0
  Fe  Fe1  2  0.44  0.0  0.68  1.0
  Re  Re2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.62  1.0

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