data_AlFeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.64
_cell_angle_alpha   100.32
_cell_angle_beta   100.32
_cell_angle_gamma   35.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFeRh2
_chemical_formula_sum   'Al1 Fe1 Rh2'
_cell_volume   52.78
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.83  0.0  0.28  1.0
  Rh  Rh2  1  0.18  0.0  0.17  1.0
  Rh  Rh3  1  0.48  0.0  0.38  1.0

data_AlFeRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.48
_cell_length_c   4.64
_cell_angle_alpha   100.32
_cell_angle_beta   90.0
_cell_angle_gamma   107.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFeRh2
_chemical_formula_sum   'Al1 Fe1 Rh2'
_cell_volume   52.78
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.17  0.72  1.0
  Rh  Rh2  1  0.0  0.52  0.62  1.0
  Rh  Rh3  1  0.0  0.82  0.83  1.0

Al Fe Rh Rh