data_Fe5Rh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Rh4
_chemical_formula_sum   'Fe10 Rh8'
_cell_volume   232.43
_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  0.41  0.0  0.82  1.0
  Fe  Fe1  1  0.79  0.09  0.82  1.0
  Fe  Fe2  1  0.42  0.19  0.82  1.0
  Fe  Fe3  1  0.84  0.0  0.27  1.0
  Fe  Fe4  1  0.58  0.19  0.27  1.0
  Fe  Fe5  1  0.21  0.09  0.27  1.0
  Fe  Fe6  1  0.0  0.19  0.55  1.0
  Fe  Fe7  1  0.63  0.09  0.0  1.0
  Fe  Fe8  1  0.63  0.09  0.55  1.0
  Fe  Fe9  1  0.0  0.19  0.0  1.0
  Rh  Rh10  1  0.0  0.0  0.55  1.0
  Rh  Rh11  1  0.0  0.0  0.0  1.0
  Rh  Rh12  1  0.78  0.0  0.82  1.0
  Rh  Rh13  1  0.61  0.14  0.82  1.0
  Rh  Rh14  1  0.24  0.14  0.82  1.0
  Rh  Rh15  1  0.47  0.0  0.27  1.0
  Rh  Rh16  1  0.76  0.14  0.27  1.0
  Rh  Rh17  1  0.39  0.14  0.27  1.0

data_Fe5Rh4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.1
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Rh4
_chemical_formula_sum   'Fe10 Rh8'
_cell_volume   232.43
_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  0.63  0.09  1.0
  Fe  Fe1  1  -0.0  0.0  0.19  1.0
  Fe  Fe2  1  0.27  0.21  0.09  1.0
  Fe  Fe3  1  0.27  0.58  0.19  1.0
  Fe  Fe4  1  0.27  0.84  0.0  1.0
  Fe  Fe5  1  0.55  0.0  0.19  1.0
  Fe  Fe6  1  0.55  0.63  0.09  1.0
  Fe  Fe7  1  0.82  0.41  0.0  1.0
  Fe  Fe8  1  0.82  0.42  0.19  1.0
  Fe  Fe9  1  0.82  0.79  0.09  1.0
  Rh  Rh10  1  0.0  0.0  0.0  1.0
  Rh  Rh11  1  0.27  0.39  0.14  1.0
  Rh  Rh12  1  0.27  0.47  0.0  1.0
  Rh  Rh13  1  0.27  0.76  0.14  1.0
  Rh  Rh14  1  0.55  0.0  0.0  1.0
  Rh  Rh15  1  0.82  0.24  0.14  1.0
  Rh  Rh16  1  0.82  0.61  0.14  1.0
  Rh  Rh17  1  0.82  0.78  0.0  1.0

Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Rh Rh Rh Rh Rh Rh Rh Rh
Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Rh Rh Rh Rh Rh Rh Rh Rh 0 2 o o o 0 13 o o o 1 12 o o o 1 8 o o o 1 9 + o + 2 14 o o o 3 16 o o o 4 17 o o o 4 15 o o o 4 8 o o o 4 16 o o o 5 17 o o o 6 10 o o o 7 13 o o - 7 16 o o o 8 15 o o o 8 13 o o o 8 16 o o o 9 11 o o o 15 17 o o o 