data_[Mn4Fe4Ge12]
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 [Imma]
_cell_length_a [5.0358]
_cell_length_b [8.2591]
_cell_length_c [7.5722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [MnFeGe3]
_chemical_formula_sum '[Mn4 Fe4 Ge12]'
_cell_volume [314.9346]
_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  0.0000  0.2500  0.0053  1
  Fe  Fe1  4  0.0000  0.0000  0.5000  1
  Ge  Ge2  8  0.2500  0.0854  0.2500  1
  Ge  Ge3  4  0.0000  0.2500  0.6591  1
]