data_[Mn8Fe2Ge6]
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 [P-31m]
_cell_length_a [7.1223]
_cell_length_b [7.1223]
_cell_length_c [4.9342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Mn4FeGe3]
_chemical_formula_sum '[Mn8 Fe2 Ge6]'
_cell_volume [216.7637]
_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  6  0.0000  0.2463  0.2460  1.0
  Mn  Mn1  2  0.3333  0.6667  0.0000  1.0
  Fe  Fe2  2  0.3333  0.6667  0.5000  1.0
  Ge  Ge3  6  0.0000  0.3927  0.7446  1.0
]