data_[Mn4Ge4]
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 [P2_13]
_cell_length_a [4.7619]
_cell_length_b [4.7619]
_cell_length_c [4.7619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [MnGe]
_chemical_formula_sum '[Mn4 Ge4]'
_cell_volume [107.9782]
_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  0.1371  0.3629  0.6371  1.0
  Ge  Ge1  4  0.1571  0.1571  0.1571  1.0
]