data_[Mn16Nb28Ge32]
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 [13.8573]
_cell_length_b [5.2314]
_cell_length_c [16.5766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Mn4Nb7Ge8]
_chemical_formula_sum '[Mn16 Nb28 Ge32]'
_cell_volume [1201.6796]
_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  8  0.0576  0.5010  0.3834  1
  Mn  Mn1  4  0.1342  0.7500  0.6537  1
  Mn  Mn2  4  0.1896  0.2500  0.2484  1
  Nb  Nb3  8  0.1371  0.5032  0.8211  1
  Nb  Nb4  4  0.0488  0.2500  0.0989  1
  Nb  Nb5  4  0.0675  0.7500  0.1950  1
  Nb  Nb6  4  0.1290  0.7500  0.9949  1
  Nb  Nb7  4  0.1307  0.2500  0.5384  1
  Nb  Nb8  4  0.2494  0.2500  0.9776  1
  Ge  Ge9  8  0.2203  0.5047  0.1216  1
  Ge  Ge10  4  0.0108  0.2500  0.2564  1
  Ge  Ge11  4  0.0495  0.2500  0.9404  1
  Ge  Ge12  4  0.0552  0.7500  0.5170  1
  Ge  Ge13  4  0.0783  0.2500  0.6889  1
  Ge  Ge14  4  0.1950  0.7500  0.3116  1
  Ge  Ge15  4  0.2160  0.2500  0.3982  1
]