data_Si7C6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   6.83
_cell_angle_alpha   46.15
_cell_angle_beta   46.15
_cell_angle_gamma   46.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si7C6
_chemical_formula_sum   'Si7 C6'
_cell_volume   151.18
_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
  Si  Si6  1  0.73  0.73  0.46  1.0
  Si  Si7  1  0.0  0.53  0.46  1.0
  Si  Si8  1  0.27  0.73  0.46  1.0
  Si  Si9  1  0.27  0.27  0.81  1.0
  Si  Si10  1  0.73  0.27  0.81  1.0
  Si  Si11  1  0.0  0.47  0.81  1.0
  Si  Si12  1  0.0  0.0  0.0  1.0
  C  C0  1  0.0  0.0  0.08  1.0
  C  C1  1  0.0  0.0  0.19  1.0
  C  C2  1  0.0  0.0  0.46  1.0
  C  C3  1  0.0  0.0  0.81  1.0
  C  C4  1  0.0  0.0  0.11  1.0
  C  C5  1  0.0  0.0  0.16  1.0

data_Si7C6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   6.83
_cell_angle_alpha   66.92
_cell_angle_beta   66.92
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si7C6
_chemical_formula_sum   'Si7 C6'
_cell_volume   151.18
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.27  0.54  0.46  1.0
  Si  Si2  1  0.27  0.54  0.92  1.0
  Si  Si3  1  0.47  0.54  0.99  1.0
  Si  Si4  1  0.53  0.19  0.28  1.0
  Si  Si5  1  0.73  0.19  0.81  1.0
  Si  Si6  1  0.73  0.19  0.35  1.0
  C  C7  1  0.0  0.19  0.81  1.0
  C  C8  1  0.0  0.54  0.46  1.0
  C  C9  1  0.0  0.81  0.19  1.0
  C  C10  1  0.0  0.84  0.16  1.0
  C  C11  1  0.0  0.89  0.11  1.0
  C  C12  1  0.0  0.92  0.08  1.0

Si Si Si Si Si Si Si C C C C C C
Si Si Si Si Si Si Si C C C C C C 0 1 + o o 2 9 o + o 3 5 o o o 4 10 + o o 6 7 o o o 6 10 o o - 7 11 o o o 8 12 o o o 