data_[Mn12Ge12Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.1352]
_cell_length_b [11.3348]
_cell_length_c [6.6171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [MnGeRh]
_chemical_formula_sum '[Mn12 Ge12 Rh12]'
_cell_volume [535.1610]
_cell_formula_units_Z [12]
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
[
  Mn  Mn0  4  0.2500  0.1928  0.2036  1.0
  Mn  Mn1  4  0.2500  0.5085  0.0940  1.0
  Mn  Mn2  4  0.2500  0.7172  0.7236  1.0
  Ge  Ge3  8  0.0073  0.1671  0.5035  1.0
  Ge  Ge4  4  0.2500  0.5276  0.4990  1.0
  Rh  Rh5  8  0.0337  0.1289  0.8708  1.0
  Rh  Rh6  4  0.0000  0.0000  0.2602  1.0
]