data_[Ge6C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.2817]
_cell_length_b [10.0551]
_cell_length_c [4.8921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [GeC]
_chemical_formula_sum '[Ge6 C6]'
_cell_volume [161.4300]
_cell_formula_units_Z [6]
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  0.0000  0.1490  0.1081  1
  Ge  Ge1  2  0.0000  0.5000  0.3892  1
  C  C2  4  0.0000  0.3511  0.1277  1
  C  C3  2  0.0000  0.0000  0.3785  1
]