data_MoRh22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88
_cell_length_b   9.88
_cell_length_c   9.88
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRh22
_chemical_formula_sum   'Mo2 Rh44'
_cell_volume   682.49
_cell_formula_units_Z   2
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
  Mo  Mo0  1  0.49  0.49  0.49  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.74  0.58  0.39  1.0
  Rh  Rh3  1  0.74  0.39  0.58  1.0
  Rh  Rh4  1  0.24  0.39  0.39  1.0
  Rh  Rh5  1  0.24  0.58  0.58  1.0
  Rh  Rh6  1  0.39  0.24  0.39  1.0
  Rh  Rh7  1  0.58  0.24  0.58  1.0
  Rh  Rh8  1  0.39  0.74  0.58  1.0
  Rh  Rh9  1  0.58  0.74  0.39  1.0
  Rh  Rh10  1  0.39  0.58  0.74  1.0
  Rh  Rh11  1  0.58  0.39  0.74  1.0
  Rh  Rh12  1  0.58  0.58  0.24  1.0
  Rh  Rh13  1  0.39  0.39  0.24  1.0
  Rh  Rh14  1  0.74  0.09  0.89  1.0
  Rh  Rh15  1  0.74  0.89  0.09  1.0
  Rh  Rh16  1  0.23  0.09  0.09  1.0
  Rh  Rh17  1  0.23  0.89  0.89  1.0
  Rh  Rh18  1  0.09  0.09  0.23  1.0
  Rh  Rh19  1  0.89  0.89  0.23  1.0
  Rh  Rh20  1  0.09  0.89  0.74  1.0
  Rh  Rh21  1  0.89  0.09  0.74  1.0
  Rh  Rh22  1  0.09  0.74  0.89  1.0
  Rh  Rh23  1  0.89  0.74  0.09  1.0
  Rh  Rh24  1  0.89  0.23  0.89  1.0
  Rh  Rh25  1  0.09  0.23  0.09  1.0
  Rh  Rh26  1  0.48  0.57  0.48  1.0
  Rh  Rh27  1  0.48  0.4  0.48  1.0
  Rh  Rh28  1  0.48  0.48  0.4  1.0
  Rh  Rh29  1  0.48  0.48  0.57  1.0
  Rh  Rh30  1  0.4  0.48  0.48  1.0
  Rh  Rh31  1  0.57  0.48  0.48  1.0
  Rh  Rh32  1  0.99  0.99  0.9  1.0
  Rh  Rh33  1  0.99  0.99  0.07  1.0
  Rh  Rh34  1  0.99  0.07  0.99  1.0
  Rh  Rh35  1  0.99  0.9  0.99  1.0
  Rh  Rh36  1  0.07  0.99  0.99  1.0
  Rh  Rh37  1  0.9  0.99  0.99  1.0
  Rh  Rh38  1  0.24  0.75  0.24  1.0
  Rh  Rh39  1  0.24  0.24  0.75  1.0
  Rh  Rh40  1  0.75  0.24  0.24  1.0
  Rh  Rh41  1  0.75  0.75  0.75  1.0
  Rh  Rh42  1  0.24  0.74  0.24  1.0
  Rh  Rh43  1  0.24  0.24  0.74  1.0
  Rh  Rh44  1  0.74  0.24  0.24  1.0
  Rh  Rh45  1  0.74  0.74  0.74  1.0

data_MoRh22
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.88
_cell_length_b   9.88
_cell_length_c   24.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MoRh22
_chemical_formula_sum   'Mo6 Rh132'
_cell_volume   2047.48
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Mo  Mo0  3  0.0  0.0  0.51  1.0
  Mo  Mo1  3  0.0  0.0  1.0  1.0
  Rh  Rh2  18  0.02  0.84  0.09  1.0
  Rh  Rh3  18  0.17  0.49  0.1  1.0
  Rh  Rh4  9  0.0  0.5  0.26  1.0
  Rh  Rh5  9  0.03  0.06  0.49  1.0
  Rh  Rh6  9  0.03  0.06  0.98  1.0
  Rh  Rh7  9  0.05  0.1  0.86  1.0
  Rh  Rh8  9  0.06  0.03  0.04  1.0
  Rh  Rh9  9  0.06  0.03  0.55  1.0
  Rh  Rh10  9  0.1  0.55  0.66  1.0
  Rh  Rh11  9  0.1  0.05  0.66  1.0
  Rh  Rh12  9  0.17  0.34  0.59  1.0
  Rh  Rh13  9  0.22  0.44  0.2  1.0
  Rh  Rh14  3  0.0  0.0  0.25  1.0
  Rh  Rh15  3  0.0  0.0  0.26  1.0

Mo Mo Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh