data_[Ge4Mo16C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6766]
_cell_length_b [6.0625]
_cell_length_c [5.3043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ge2Mo8C3]
_chemical_formula_sum '[Ge4 Mo16 C6]'
_cell_volume [393.0971]
_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
[
  Ge  Ge0  4  0.2459  0.0000  0.3146  1
  Mo  Mo1  8  0.0930  0.2620  0.3999  1
  Mo  Mo2  4  0.0914  0.0000  0.8937  1
  Mo  Mo3  4  0.0916  0.5000  0.8836  1
  C  C4  4  0.0000  0.2517  0.0000  1
  C  C5  2  0.0000  0.0000  0.5000  1
]