data_[Mo6Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2354]
_cell_length_b [2.7482]
_cell_length_c [6.5852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MoRh]
_chemical_formula_sum '[Mo6 Rh6]'
_cell_volume [179.5782]
_cell_formula_units_Z [6]
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  2  0.0088  0.0000  0.9940  1.0
  Mo  Mo1  2  0.3256  0.0000  0.6647  1.0
  Mo  Mo2  2  0.3891  0.0000  0.2825  1.0
  Rh  Rh3  2  0.0500  0.0000  0.6105  1.0
  Rh  Rh4  2  0.1659  0.5000  0.3342  1.0
  Rh  Rh5  2  0.2274  0.5000  0.9475  1.0
]