data_GeC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   147.66
_cell_angle_beta   115.98
_cell_angle_gamma   73.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeC3
_chemical_formula_sum   'Ge1 C3'
_cell_volume   43.08
_cell_formula_units_Z   1
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  Ge3  1  0.0  0.0  0.6  1.0
  C  C0  1  0.25  0.0  0.93  1.0
  C  C1  1  0.0  0.38  0.67  1.0
  C  C2  1  0.0  0.0  0.0  1.0

data_GeC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.51
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   64.02
_cell_angle_beta   73.83
_cell_angle_gamma   73.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeC3
_chemical_formula_sum   'Ge1 C3'
_cell_volume   43.08
_cell_formula_units_Z   1
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  1  0.0  -0.0  0.6  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.0  0.75  0.93  1.0
  C  C3  1  0.38  -0.0  0.28  1.0

Ge C C C
Ge C C C 0 2 o o o 0 1 o o o 1 3 o o + 2 3 o + + 2 3 o o o 