data_ScC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   14.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScC3
_chemical_formula_sum   'Sc6 C18'
_cell_volume   261.83
_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
  Sc  Sc18  1  0.0  0.0  0.67  1.0
  Sc  Sc19  1  0.0  0.0  0.02  1.0
  Sc  Sc20  1  0.27  0.31  0.27  1.0
  Sc  Sc21  1  0.27  0.31  0.77  1.0
  Sc  Sc22  1  0.0  0.62  0.93  1.0
  Sc  Sc23  1  0.0  0.62  0.42  1.0
  C  C0  1  0.27  0.47  0.67  1.0
  C  C1  1  0.99  0.73  0.67  1.0
  C  C2  1  0.54  0.73  0.67  1.0
  C  C3  1  0.0  0.45  0.02  1.0
  C  C4  1  0.28  0.2  0.02  1.0
  C  C5  1  0.72  0.2  0.02  1.0
  C  C6  1  0.27  0.14  0.23  1.0
  C  C7  1  0.55  0.89  0.23  1.0
  C  C8  1  0.99  0.89  0.23  1.0
  C  C9  1  0.27  0.14  0.11  1.0
  C  C10  1  0.55  0.89  0.11  1.0
  C  C11  1  0.99  0.89  0.11  1.0
  C  C12  1  0.0  0.79  0.46  1.0
  C  C13  1  0.72  0.03  0.46  1.0
  C  C14  1  0.28  0.03  0.46  1.0
  C  C15  1  0.0  0.79  0.58  1.0
  C  C16  1  0.72  0.03  0.58  1.0
  C  C17  1  0.28  0.03  0.58  1.0

data_ScC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   14.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScC3
_chemical_formula_sum   'Sc6 C18'
_cell_volume   261.83
_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
  Sc  Sc0  1  -0.0  0.62  0.42  1.0
  Sc  Sc1  1  -0.0  0.62  0.93  1.0
  Sc  Sc2  1  0.0  0.0  0.02  1.0
  Sc  Sc3  1  0.0  0.0  0.67  1.0
  Sc  Sc4  1  0.27  0.31  0.27  1.0
  Sc  Sc5  1  0.27  0.31  0.77  1.0
  C  C6  1  -0.0  0.45  0.02  1.0
  C  C7  1  -0.0  0.79  0.46  1.0
  C  C8  1  -0.0  0.79  0.58  1.0
  C  C9  1  0.27  0.47  0.67  1.0
  C  C10  1  0.27  0.14  0.11  1.0
  C  C11  1  0.27  0.14  0.23  1.0
  C  C12  1  0.28  0.2  0.02  1.0
  C  C13  1  0.28  0.03  0.46  1.0
  C  C14  1  0.28  0.03  0.58  1.0
  C  C15  1  0.54  0.73  0.67  1.0
  C  C16  1  0.55  0.89  0.11  1.0
  C  C17  1  0.55  0.89  0.23  1.0
  C  C18  1  0.72  0.03  0.46  1.0
  C  C19  1  0.72  0.03  0.58  1.0
  C  C20  1  0.72  0.2  0.02  1.0
  C  C21  1  0.99  0.89  0.11  1.0
  C  C22  1  0.99  0.89  0.23  1.0
  C  C23  1  0.99  0.73  0.67  1.0

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