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 [Pmn2_1]
_cell_length_a [9.2364]
_cell_length_b [3.1955]
_cell_length_c [5.8104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [GeC]
_chemical_formula_sum '[Ge6 C6]'
_cell_volume [171.4908]
_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  0.2068  0.1487  0.3257  1
  Ge  Ge1  2  0.0000  0.4829  0.6034  1
  C  C2  4  0.2104  0.3519  0.6777  1
  C  C3  2  0.0000  0.0001  0.3917  1
]