data_AlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   8.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRh
_chemical_formula_sum   'Al6 Rh6'
_cell_volume   171.12
_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  0.0  0.0  0.06  1.0
  Al  Al1  1  0.43  0.16  0.74  1.0
  Al  Al2  1  0.0  0.0  0.3  1.0
  Al  Al3  1  0.0  0.0  0.68  1.0
  Al  Al4  1  0.86  0.0  0.16  1.0
  Al  Al5  1  0.43  0.84  0.74  1.0
  Rh  Rh6  1  0.43  0.16  0.1  1.0
  Rh  Rh7  1  0.43  0.16  0.2  1.0
  Rh  Rh8  1  0.86  0.0  0.67  1.0
  Rh  Rh9  1  0.43  0.84  0.1  1.0
  Rh  Rh10  1  0.86  0.0  0.8  1.0
  Rh  Rh11  1  0.43  0.84  0.2  1.0

data_AlRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   8.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRh
_chemical_formula_sum   'Al6 Rh6'
_cell_volume   171.12
_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  0.0  0.0  0.06  1.0
  Al  Al1  1  0.0  0.0  0.3  1.0
  Al  Al2  1  0.0  0.0  0.68  1.0
  Al  Al3  1  0.43  0.16  0.74  1.0
  Al  Al4  1  0.43  0.84  0.74  1.0
  Al  Al5  1  0.86  0.0  0.16  1.0
  Rh  Rh6  1  0.43  0.16  0.1  1.0
  Rh  Rh7  1  0.43  0.16  0.2  1.0
  Rh  Rh8  1  0.43  0.84  0.1  1.0
  Rh  Rh9  1  0.43  0.84  0.2  1.0
  Rh  Rh10  1  0.86  0.0  0.67  1.0
  Rh  Rh11  1  0.86  0.0  0.8  1.0

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