data_YbC6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbC6
_chemical_formula_sum   'Yb2 C12'
_cell_volume   143.13
_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
  Yb  Yb0  1  0.17  0.25  0.57  1.0
  Yb  Yb1  1  0.0  0.51  0.19  1.0
  C  C2  1  0.45  0.0  0.0  1.0
  C  C3  1  0.28  0.25  0.0  1.0
  C  C4  1  0.45  0.51  0.0  1.0
  C  C5  1  0.89  0.0  0.0  1.0
  C  C6  1  0.72  0.25  0.0  1.0
  C  C7  1  0.55  0.51  0.0  1.0
  C  C8  1  0.89  0.0  0.38  1.0
  C  C9  1  0.55  0.51  0.38  1.0
  C  C10  1  0.72  0.25  0.38  1.0
  C  C11  1  0.45  0.0  0.38  1.0
  C  C12  1  0.45  0.51  0.38  1.0
  C  C13  1  0.28  0.25  0.38  1.0

data_YbC6
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbC6
_chemical_formula_sum   'Yb2 C12'
_cell_volume   143.13
_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
  Yb  Yb0  1  0.0  0.51  0.19  1.0
  Yb  Yb1  1  0.17  0.25  0.57  1.0
  C  C2  1  0.28  0.25  0.0  1.0
  C  C3  1  0.28  0.25  0.38  1.0
  C  C4  1  0.45  0.51  0.0  1.0
  C  C5  1  0.45  0.51  0.38  1.0
  C  C6  1  0.45  0.0  0.0  1.0
  C  C7  1  0.45  0.0  0.38  1.0
  C  C8  1  0.55  0.51  0.0  1.0
  C  C9  1  0.55  0.51  0.38  1.0
  C  C10  1  0.72  0.25  0.0  1.0
  C  C11  1  0.72  0.25  0.38  1.0
  C  C12  1  0.89  0.0  0.0  1.0
  C  C13  1  0.89  0.0  0.38  1.0

Yb Yb C C C C C C C C C C C C