data_[Mn8Ge8]
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 [C2/m]
_cell_length_a [11.8288]
_cell_length_b [3.9884]
_cell_length_c [5.0393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnGe]
_chemical_formula_sum '[Mn8 Ge8]'
_cell_volume [231.9925]
_cell_formula_units_Z [8]
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  0.1999  0.0000  0.3483  1
  Mn  Mn1  2  0.0000  0.0000  0.0000  1
  Mn  Mn2  2  0.0000  0.0000  0.5000  1
  Ge  Ge3  4  0.0672  0.5000  0.2873  1
  Ge  Ge4  4  0.1864  0.0000  0.8406  1
]