data_[Mn22Ge6]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.7026]
_cell_length_b [10.9941]
_cell_length_c [11.5505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mn11Ge3]
_chemical_formula_sum '[Mn22 Ge6]'
_cell_volume [343.1906]
_cell_formula_units_Z [2]
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  0.0000  0.3087  0.1755  1
  Mn  Mn1  8  0.0000  0.3688  0.3747  1
  Mn  Mn2  4  0.0000  0.1922  0.5000  1
  Mn  Mn3  2  0.0000  0.5000  0.0000  1
  Ge  Ge4  4  0.0000  0.0000  0.3051  1
  Ge  Ge5  2  0.0000  0.0000  0.0000  1
]