data_AlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.74
_cell_angle_alpha   104.42
_cell_angle_beta   104.42
_cell_angle_gamma   30.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRh
_chemical_formula_sum   'Al3 Rh3'
_cell_volume   86.42
_cell_formula_units_Z   3
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  0.64  0.0  0.54  1.0
  Al  Al1  1  0.34  0.0  0.51  1.0
  Al  Al2  1  0.47  0.0  0.28  1.0
  Rh  Rh3  1  0.98  0.0  0.34  1.0
  Rh  Rh4  1  0.73  0.0  0.46  1.0
  Rh  Rh5  1  0.81  0.0  0.44  1.0

data_AlRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.5
_cell_length_c   5.74
_cell_angle_alpha   104.42
_cell_angle_beta   90.0
_cell_angle_gamma   105.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRh
_chemical_formula_sum   'Al3 Rh3'
_cell_volume   86.42
_cell_formula_units_Z   3
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  0.36  0.46  1.0
  Al  Al1  1  0.0  0.53  0.72  1.0
  Al  Al2  1  0.0  0.66  0.49  1.0
  Rh  Rh3  1  0.0  0.02  0.66  1.0
  Rh  Rh4  1  0.0  0.19  0.56  1.0
  Rh  Rh5  1  0.0  0.27  0.54  1.0

Al Al Al Rh Rh Rh