data_AlMoRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   129.89
_cell_angle_beta   129.89
_cell_angle_gamma   73.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMoRh2
_chemical_formula_sum   'Al1 Mo1 Rh2'
_cell_volume   58.21
_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
  Mo  Mo1  1  0.0  0.0  0.73  1.0
  Rh  Rh2  1  0.0  0.97  0.87  1.0
  Rh  Rh3  1  0.97  0.0  0.87  1.0

data_AlMoRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   126.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlMoRh2
_chemical_formula_sum   'Al2 Mo2 Rh4'
_cell_volume   116.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Mo  Mo1  2  0.0  0.0  0.73  1.0
  Rh  Rh2  4  0.01  0.01  0.89  1.0

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