data_Fe2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Re
_chemical_formula_sum   'Fe4 Re2'
_cell_volume   73.0
_cell_formula_units_Z   2
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  0.51  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.0  0.37  0.25  1.0
  Fe  Fe3  1  0.05  0.18  0.76  1.0
  Re  Re4  1  0.0  0.37  0.76  1.0
  Re  Re5  1  0.05  0.18  0.25  1.0

data_Fe2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Re
_chemical_formula_sum   'Fe4 Re2'
_cell_volume   73.0
_cell_formula_units_Z   2
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  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.51  1.0
  Fe  Fe2  1  0.0  0.37  0.25  1.0
  Fe  Fe3  1  0.05  0.18  0.76  1.0
  Re  Re4  1  0.0  0.37  0.76  1.0
  Re  Re5  1  0.05  0.18  0.25  1.0

Fe Fe Fe Fe Re Re
Fe Fe Fe Fe Re Re 0 5 o o o 0 3 o o o 1 3 o o - 1 5 o o o 2 5 o o o 3 4 o o o 