data_Fe2ReB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   2.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2ReB
_chemical_formula_sum   'Fe2 Re1 B1'
_cell_volume   45.02
_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  Fe1  1  0.17  0.84  0.31  1.0
  Fe  Fe2  1  0.17  0.16  0.31  1.0
  Re  Re3  1  0.34  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Fe2ReB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.35
_cell_length_c   4.35
_cell_angle_alpha   114.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2ReB
_chemical_formula_sum   'Fe2 Re1 B1'
_cell_volume   45.02
_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  0.31  0.17  0.84  1.0
  Fe  Fe1  1  0.31  0.17  0.16  1.0
  Re  Re2  1  0.0  0.34  0.0  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Fe Fe Re B