data_[Mn8Nb36Ge32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.0026]
_cell_length_b [5.3365]
_cell_length_c [16.8490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Mn2Nb9Ge8]
_chemical_formula_sum '[Mn8 Nb36 Ge32]'
_cell_volume [1259.0249]
_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
[
  Mn  Mn0  4  0.1362  0.7500  0.6606  1
  Mn  Mn1  4  0.1935  0.2500  0.2494  1
  Nb  Nb2  8  0.0588  0.5004  0.3798  1
  Nb  Nb3  8  0.1356  0.5036  0.8239  1
  Nb  Nb4  4  0.0495  0.2500  0.0949  1
  Nb  Nb5  4  0.0668  0.7500  0.1954  1
  Nb  Nb6  4  0.1257  0.7500  0.9973  1
  Nb  Nb7  4  0.1291  0.2500  0.5417  1
  Nb  Nb8  4  0.2471  0.2500  0.9727  1
  Ge  Ge9  8  0.2192  0.5026  0.1193  1
  Ge  Ge10  4  0.0108  0.2500  0.2470  1
  Ge  Ge11  4  0.0486  0.2500  0.9397  1
  Ge  Ge12  4  0.0614  0.7500  0.5203  1
  Ge  Ge13  4  0.0869  0.2500  0.6944  1
  Ge  Ge14  4  0.2032  0.7500  0.3053  1
  Ge  Ge15  4  0.2245  0.2500  0.4026  1
]