data_NaC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   13.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaC3
_chemical_formula_sum   'Na6 C18'
_cell_volume   327.68
_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
  Na  Na18  1  0.0  0.0  0.37  1.0
  Na  Na19  1  0.0  0.0  0.12  1.0
  Na  Na20  1  0.65  0.53  0.52  1.0
  Na  Na21  1  0.65  0.53  0.72  1.0
  Na  Na22  1  0.0  0.06  0.77  1.0
  Na  Na23  1  0.0  0.06  0.97  1.0
  C  C0  1  0.65  0.7  0.37  1.0
  C  C1  1  0.36  0.94  0.37  1.0
  C  C2  1  0.93  0.94  0.37  1.0
  C  C3  1  0.0  0.88  0.12  1.0
  C  C4  1  0.29  0.64  0.12  1.0
  C  C5  1  0.71  0.64  0.12  1.0
  C  C6  1  0.65  0.24  0.79  1.0
  C  C7  1  0.16  0.67  0.79  1.0
  C  C8  1  0.13  0.67  0.79  1.0
  C  C9  1  0.65  0.24  0.46  1.0
  C  C10  1  0.16  0.67  0.46  1.0
  C  C11  1  0.13  0.67  0.46  1.0
  C  C12  1  0.0  0.34  0.71  1.0
  C  C13  1  0.49  0.91  0.71  1.0
  C  C14  1  0.51  0.91  0.71  1.0
  C  C15  1  0.0  0.34  0.04  1.0
  C  C16  1  0.49  0.91  0.04  1.0
  C  C17  1  0.51  0.91  0.04  1.0

data_NaC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   13.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaC3
_chemical_formula_sum   'Na6 C18'
_cell_volume   327.68
_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
  Na  Na0  1  0.0  0.0  0.12  1.0
  Na  Na1  1  0.0  0.0  0.37  1.0
  Na  Na2  1  0.0  0.06  0.77  1.0
  Na  Na3  1  0.0  0.06  0.97  1.0
  Na  Na4  1  0.65  0.53  0.52  1.0
  Na  Na5  1  0.65  0.53  0.72  1.0
  C  C6  1  0.0  0.34  0.04  1.0
  C  C7  1  0.0  0.34  0.71  1.0
  C  C8  1  0.0  0.88  0.12  1.0
  C  C9  1  0.13  0.67  0.46  1.0
  C  C10  1  0.13  0.67  0.79  1.0
  C  C11  1  0.16  0.67  0.46  1.0
  C  C12  1  0.16  0.67  0.79  1.0
  C  C13  1  0.29  0.64  0.12  1.0
  C  C14  1  0.36  0.94  0.37  1.0
  C  C15  1  0.49  0.91  0.04  1.0
  C  C16  1  0.49  0.91  0.71  1.0
  C  C17  1  0.51  0.91  0.04  1.0
  C  C18  1  0.51  0.91  0.71  1.0
  C  C19  1  0.65  0.24  0.46  1.0
  C  C20  1  0.65  0.24  0.79  1.0
  C  C21  1  0.65  0.7  0.37  1.0
  C  C22  1  0.71  0.64  0.12  1.0
  C  C23  1  0.93  0.94  0.37  1.0

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