data_Al2MoRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   2.76
_cell_angle_alpha   101.72
_cell_angle_beta   101.72
_cell_angle_gamma   111.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2MoRh
_chemical_formula_sum   'Al2 Mo1 Rh1'
_cell_volume   59.55
_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  0.92  0.95  0.29  1.0
  Al  Al1  1  0.92  0.05  0.29  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.82  0.0  0.0  1.0

data_Al2MoRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   111.0
_cell_angle_beta   101.72
_cell_angle_gamma   101.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2MoRh
_chemical_formula_sum   'Al2 Mo1 Rh1'
_cell_volume   59.55
_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  0.29  0.92  0.95  1.0
  Al  Al1  1  0.29  0.92  0.05  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.82  0.0  1.0

Al Al Mo Rh
Al Al Mo Rh 0 1 o + o 0 2 + + o 1 2 + o o 1 3 o o o 2 3 - o o 