data_[Mn6Fe12Si3Ge3]
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
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9937]
_cell_length_b [3.9937]
_cell_length_c [19.6031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mn2Fe4SiGe]
_chemical_formula_sum '[Mn6 Fe12 Si3 Ge3]'
_cell_volume [270.7686]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2500  1.0
  Fe  Fe1  6  0.0000  0.0000  0.1274  1.0
  Fe  Fe2  6  0.0000  0.0000  0.3782  1.0
  Si  Si3  3  -0.0000  -0.0000  0.5000  1.0
  Ge  Ge4  3  0.0000  0.0000  0.0000  1.0
]