data_AlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   5.61
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRh
_chemical_formula_sum   'Al6 Rh6'
_cell_volume   170.62
_cell_formula_units_Z   6
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  0.49  0.23  0.53  1.0
  Al  Al1  1  0.81  0.0  0.4  1.0
  Al  Al2  1  0.71  0.44  0.27  1.0
  Al  Al3  1  0.27  0.81  0.35  1.0
  Al  Al4  1  0.49  0.39  0.53  1.0
  Al  Al5  1  0.71  0.17  0.27  1.0
  Rh  Rh6  1  0.12  0.22  0.39  1.0
  Rh  Rh7  1  0.29  0.0  0.09  1.0
  Rh  Rh8  1  0.74  0.81  0.39  1.0
  Rh  Rh9  1  0.97  0.0  0.17  1.0
  Rh  Rh10  1  0.12  0.39  0.39  1.0
  Rh  Rh11  1  0.83  0.81  0.98  1.0

data_AlRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.65
_cell_length_b   5.61
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRh
_chemical_formula_sum   'Al6 Rh6'
_cell_volume   170.62
_cell_formula_units_Z   6
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  0.27  0.81  0.35  1.0
  Al  Al1  1  0.49  0.23  0.53  1.0
  Al  Al2  1  0.49  0.39  0.53  1.0
  Al  Al3  1  0.71  0.17  0.27  1.0
  Al  Al4  1  0.71  0.44  0.27  1.0
  Al  Al5  1  0.81  0.0  0.4  1.0
  Rh  Rh6  1  0.12  0.22  0.39  1.0
  Rh  Rh7  1  0.12  0.39  0.39  1.0
  Rh  Rh8  1  0.29  0.0  0.09  1.0
  Rh  Rh9  1  0.74  0.81  0.39  1.0
  Rh  Rh10  1  0.83  0.81  0.98  1.0
  Rh  Rh11  1  0.97  0.0  0.17  1.0

Al Al Al Al Al Al Rh Rh Rh Rh Rh Rh