data_[Mn2Fe16Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5581]
_cell_length_b [4.7220]
_cell_length_c [5.2623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(Fe4Ge)2]
_chemical_formula_sum '[Mn2 Fe16 Ge4]'
_cell_volume [274.3508]
_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  2  0.0000  0.0000  0.0000  1
  Fe  Fe1  8  0.0747  0.2626  0.3997  1
  Fe  Fe2  4  0.0973  0.5000  0.9482  1
  Fe  Fe3  4  0.2383  0.0000  0.2910  1
  Ge  Ge4  4  0.1765  0.0000  0.7938  1
]