data_FeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   7.85
_cell_length_c   7.85
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRh2
_chemical_formula_sum   'Fe8 Rh16'
_cell_volume   341.59
_cell_formula_units_Z   8
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  0.1  0.1  0.1  1.0
  Fe  Fe1  1  0.54  0.54  0.1  1.0
  Fe  Fe2  1  0.54  0.1  0.54  1.0
  Fe  Fe3  1  0.1  0.54  0.54  1.0
  Fe  Fe4  1  0.77  0.77  0.77  1.0
  Fe  Fe5  1  0.33  0.33  0.77  1.0
  Fe  Fe6  1  0.33  0.77  0.33  1.0
  Fe  Fe7  1  0.77  0.33  0.33  1.0
  Rh  Rh8  1  0.39  0.16  0.16  1.0
  Rh  Rh9  1  0.16  0.39  0.16  1.0
  Rh  Rh10  1  0.16  0.16  0.39  1.0
  Rh  Rh11  1  0.39  0.39  0.39  1.0
  Rh  Rh12  1  0.55  0.55  0.62  1.0
  Rh  Rh13  1  0.55  0.62  0.55  1.0
  Rh  Rh14  1  0.62  0.55  0.55  1.0
  Rh  Rh15  1  0.48  0.55  0.55  1.0
  Rh  Rh16  1  0.55  0.48  0.55  1.0
  Rh  Rh17  1  0.55  0.55  0.48  1.0
  Rh  Rh18  1  0.32  0.32  0.25  1.0
  Rh  Rh19  1  0.32  0.25  0.32  1.0
  Rh  Rh20  1  0.25  0.32  0.32  1.0
  Rh  Rh21  1  0.39  0.32  0.32  1.0
  Rh  Rh22  1  0.32  0.39  0.32  1.0
  Rh  Rh23  1  0.32  0.32  0.39  1.0

data_FeRh2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.85
_cell_length_b   7.85
_cell_length_c   19.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   FeRh2
_chemical_formula_sum   'Fe24 Rh48'
_cell_volume   1024.78
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.04  0.52  0.19  1.0
  Fe  Fe1  9  0.19  0.37  0.27  1.0
  Fe  Fe2  3  0.0  0.0  0.23  1.0
  Fe  Fe3  3  0.0  0.0  0.9  1.0
  Rh  Rh4  9  0.02  0.05  0.43  1.0
  Rh  Rh5  9  0.02  0.05  0.65  1.0
  Rh  Rh6  9  0.05  0.02  0.7  1.0
  Rh  Rh7  9  0.05  0.02  0.47  1.0
  Rh  Rh8  9  0.08  0.15  0.76  1.0
  Rh  Rh9  3  0.0  0.0  0.61  1.0

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