data_Mo2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.42
_cell_length_b   12.42
_cell_length_c   12.42
_cell_angle_alpha   161.98
_cell_angle_beta   161.98
_cell_angle_gamma   25.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2Rh
_chemical_formula_sum   'Mo8 Rh4'
_cell_volume   183.23
_cell_formula_units_Z   4
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  0.0  0.0  0.09  1.0
  Mo  Mo1  1  0.0  0.0  0.12  1.0
  Mo  Mo2  1  0.95  0.0  0.04  1.0
  Mo  Mo3  1  0.95  0.0  0.07  1.0
  Mo  Mo4  1  0.0  0.0  0.05  1.0
  Mo  Mo5  1  0.0  0.0  0.17  1.0
  Mo  Mo6  1  0.95  0.0  0.99  1.0
  Mo  Mo7  1  0.95  0.0  0.12  1.0
  Rh  Rh8  1  0.0  0.0  0.07  1.0
  Rh  Rh9  1  0.0  0.0  0.14  1.0
  Rh  Rh10  1  0.0  0.95  0.13  1.0
  Rh  Rh11  1  0.0  0.95  0.98  1.0

data_Mo2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   12.42
_cell_angle_alpha   99.01
_cell_angle_beta   99.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2Rh
_chemical_formula_sum   'Mo8 Rh4'
_cell_volume   183.23
_cell_formula_units_Z   4
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  0.04  0.09  0.09  1.0
  Mo  Mo1  1  0.05  0.05  0.05  1.0
  Mo  Mo2  1  0.07  0.12  0.12  1.0
  Mo  Mo3  1  0.09  0.09  0.09  1.0
  Mo  Mo4  1  0.12  0.17  0.17  1.0
  Mo  Mo5  1  0.12  0.12  0.12  1.0
  Mo  Mo6  1  0.17  0.17  0.17  1.0
  Mo  Mo7  1  0.99  0.05  0.05  1.0
  Rh  Rh8  1  0.04  0.98  0.04  1.0
  Rh  Rh9  1  0.07  0.07  0.07  1.0
  Rh  Rh10  1  0.14  0.14  0.14  1.0
  Rh  Rh11  1  0.18  0.13  0.18  1.0

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