data_FeRePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRePb2
_chemical_formula_sum   'Fe1 Re1 Pb2'
_cell_volume   85.75
_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  0.26  1.0
  Re  Re3  1  0.54  0.54  0.09  1.0
  Pb  Pb1  1  0.54  0.54  0.38  1.0
  Pb  Pb2  1  0.0  0.0  0.83  1.0

data_FeRePb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeRePb2
_chemical_formula_sum   'Fe2 Re2 Pb4'
_cell_volume   171.49
_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  0.0  0.0  0.26  1.0
  Re  Re1  2  0.04  0.5  0.09  1.0
  Pb  Pb2  2  0.0  0.0  0.83  1.0
  Pb  Pb3  2  0.04  0.5  0.38  1.0

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