data_SiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   35.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiC
_chemical_formula_sum   'Si14 C14'
_cell_volume   291.91
_cell_formula_units_Z   14
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
  Si  Si14  1  0.54  0.89  0.29  1.0
  Si  Si15  1  0.0  0.0  0.77  1.0
  Si  Si16  1  0.0  0.78  0.25  1.0
  Si  Si17  1  0.0  0.0  0.73  1.0
  Si  Si18  1  0.54  0.89  0.05  1.0
  Si  Si19  1  0.0  0.78  0.53  1.0
  Si  Si20  1  0.0  0.0  0.34  1.0
  Si  Si21  1  0.54  0.89  0.14  1.0
  Si  Si22  1  0.0  0.0  0.62  1.0
  Si  Si23  1  0.0  0.78  0.1  1.0
  Si  Si24  1  0.0  0.0  0.57  1.0
  Si  Si25  1  0.54  0.89  0.2  1.0
  Si  Si26  1  0.0  0.78  0.67  1.0
  Si  Si27  1  0.0  0.78  0.82  1.0
  C  C0  1  0.0  0.78  0.15  1.0
  C  C1  1  0.0  0.0  0.62  1.0
  C  C2  1  0.0  0.78  0.71  1.0
  C  C3  1  0.54  0.89  0.1  1.0
  C  C4  1  0.0  0.78  0.57  1.0
  C  C5  1  0.54  0.89  0.94  1.0
  C  C6  1  0.0  0.78  0.42  1.0
  C  C7  1  0.0  0.0  0.9  1.0
  C  C8  1  0.54  0.89  0.04  1.0
  C  C9  1  0.0  0.0  0.52  1.0
  C  C10  1  0.0  0.78  1.0  1.0
  C  C11  1  0.0  0.0  0.47  1.0
  C  C12  1  0.54  0.89  0.19  1.0
  C  C13  1  0.0  0.0  0.67  1.0

data_SiC
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   35.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiC
_chemical_formula_sum   'Si14 C14'
_cell_volume   291.91
_cell_formula_units_Z   14
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
  Si  Si0  1  0.0  0.0  0.34  1.0
  Si  Si1  1  0.0  0.0  0.57  1.0
  Si  Si2  1  0.0  0.0  0.62  1.0
  Si  Si3  1  0.0  0.0  0.73  1.0
  Si  Si4  1  0.0  0.0  0.77  1.0
  Si  Si5  1  0.0  0.78  0.1  1.0
  Si  Si6  1  0.0  0.78  0.25  1.0
  Si  Si7  1  0.0  0.78  0.53  1.0
  Si  Si8  1  0.0  0.78  0.67  1.0
  Si  Si9  1  0.0  0.78  0.82  1.0
  Si  Si10  1  0.54  0.89  0.05  1.0
  Si  Si11  1  0.54  0.89  0.14  1.0
  Si  Si12  1  0.54  0.89  0.2  1.0
  Si  Si13  1  0.54  0.89  0.29  1.0
  C  C14  1  0.0  0.0  0.47  1.0
  C  C15  1  0.0  0.0  0.52  1.0
  C  C16  1  0.0  0.0  0.62  1.0
  C  C17  1  0.0  0.0  0.67  1.0
  C  C18  1  0.0  0.0  0.9  1.0
  C  C19  1  0.0  0.78  0.15  1.0
  C  C20  1  0.0  0.78  0.42  1.0
  C  C21  1  0.0  0.78  0.57  1.0
  C  C22  1  0.0  0.78  0.71  1.0
  C  C23  1  0.0  0.78  1.0  1.0
  C  C24  1  0.54  0.89  0.04  1.0
  C  C25  1  0.54  0.89  0.1  1.0
  C  C26  1  0.54  0.89  0.19  1.0
  C  C27  1  0.54  0.89  0.94  1.0

Si Si Si Si Si Si Si Si Si Si Si Si Si Si C C C C C C C C C C C C C C 0 2 o o o 0 2 + o o 0 6 o + o 0 6 + + o 1 13 o - o 1 3 o o o 2 26 - o o 2 26 o o o 2 11 - o o 2 11 o o o 3 16 o - o 4 22 o o o 4 17 o o o 4 24 + o - 4 24 o o - 5 23 o + o 6 20 o - o 7 14 o o o 7 14 + o o 7 17 o o o 7 26 o o o 8 15 o o o 9 17 - o o 9 17 o o o 9 14 o o o 10 18 o - o 11 26 o o o 12 27 o + o 19 24 o o o 19 24 + o o 19 21 o + o 19 21 + + o 20 25 o + o 22 24 + o - 22 24 o o - 23 25 o o o 