data_FeRe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   130.42
_cell_angle_beta   129.57
_cell_angle_gamma   73.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRe2Pb
_chemical_formula_sum   'Fe1 Re2 Pb1'
_cell_volume   65.02
_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  0.76  1.0
  Re  Re2  1  0.0  0.0  0.68  1.0
  Re  Re3  1  0.03  0.0  0.24  1.0
  Pb  Pb1  1  0.0  0.06  0.84  1.0

data_FeRe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.13
_cell_length_c   4.84
_cell_angle_alpha   115.21
_cell_angle_beta   114.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRe2Pb
_chemical_formula_sum   'Fe1 Re2 Pb1'
_cell_volume   65.02
_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  0.76  0.76  1.0
  Re  Re1  1  0.0  0.24  0.21  1.0
  Re  Re2  1  0.0  0.68  0.68  1.0
  Pb  Pb3  1  0.94  0.77  0.77  1.0

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