data_Fe7Rh6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86
_cell_length_b   8.86
_cell_length_c   8.86
_cell_angle_alpha   30.53
_cell_angle_beta   30.53
_cell_angle_gamma   30.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7Rh6
_chemical_formula_sum   'Fe7 Rh6'
_cell_volume   159.09
_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  0.85  0.33  0.81  1.0
  Fe  Fe1  1  0.0  0.33  0.81  1.0
  Fe  Fe2  1  0.15  0.33  0.81  1.0
  Fe  Fe3  1  0.15  0.67  0.51  1.0
  Fe  Fe4  1  0.85  0.67  0.51  1.0
  Fe  Fe5  1  0.0  0.67  0.51  1.0
  Fe  Fe6  1  0.0  0.0  0.0  1.0
  Rh  Rh7  1  0.0  0.0  0.41  1.0
  Rh  Rh8  1  0.0  0.0  0.91  1.0
  Rh  Rh9  1  0.0  0.0  0.77  1.0
  Rh  Rh10  1  0.0  0.0  0.55  1.0
  Rh  Rh11  1  0.0  0.0  0.11  1.0
  Rh  Rh12  1  0.0  0.0  0.2  1.0

data_Fe7Rh6
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   8.86
_cell_angle_alpha   74.73
_cell_angle_beta   74.73
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7Rh6
_chemical_formula_sum   'Fe7 Rh6'
_cell_volume   159.09
_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  0.0  1.0
  Fe  Fe1  1  0.33  0.49  0.17  1.0
  Fe  Fe2  1  0.33  0.49  0.33  1.0
  Fe  Fe3  1  0.33  0.49  0.02  1.0
  Fe  Fe4  1  0.67  0.19  0.99  1.0
  Fe  Fe5  1  0.67  0.19  0.3  1.0
  Fe  Fe6  1  0.67  0.19  0.15  1.0
  Rh  Rh7  1  0.0  0.09  0.91  1.0
  Rh  Rh8  1  0.0  0.23  0.77  1.0
  Rh  Rh9  1  0.0  0.45  0.55  1.0
  Rh  Rh10  1  0.0  0.59  0.41  1.0
  Rh  Rh11  1  0.0  0.8  0.2  1.0
  Rh  Rh12  1  0.0  0.89  0.11  1.0

Fe Fe Fe Fe Fe Fe Fe Rh Rh Rh Rh Rh Rh