data_NaC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   7.26
_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   'Na4 C12'
_cell_volume   159.4
_cell_formula_units_Z   4
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  Na12  1  0.0  0.0  0.63  1.0
  Na  Na13  1  0.0  0.0  0.0  1.0
  Na  Na14  1  0.52  0.45  0.45  1.0
  Na  Na15  1  0.0  0.91  0.82  1.0
  C  C0  1  0.74  0.18  0.63  1.0
  C  C1  1  0.74  0.18  0.0  1.0
  C  C2  1  0.26  0.18  0.63  1.0
  C  C3  1  0.52  0.0  0.63  1.0
  C  C4  1  0.52  0.0  0.0  1.0
  C  C5  1  0.26  0.18  0.0  1.0
  C  C6  1  0.75  0.34  0.45  1.0
  C  C7  1  0.77  0.02  0.82  1.0
  C  C8  1  0.25  0.34  0.45  1.0
  C  C9  1  0.0  0.04  0.45  1.0
  C  C10  1  0.52  0.32  0.82  1.0
  C  C11  1  0.27  0.02  0.82  1.0

data_NaC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   7.26
_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   'Na4 C12'
_cell_volume   159.4
_cell_formula_units_Z   4
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  0.0  1.0
  Na  Na1  1  0.0  0.0  0.63  1.0
  Na  Na2  1  0.0  0.91  0.82  1.0
  Na  Na3  1  0.52  0.45  0.45  1.0
  C  C4  1  0.0  0.04  0.45  1.0
  C  C5  1  0.25  0.34  0.45  1.0
  C  C6  1  0.26  0.18  0.0  1.0
  C  C7  1  0.26  0.18  0.63  1.0
  C  C8  1  0.27  0.02  0.82  1.0
  C  C9  1  0.52  0.0  0.0  1.0
  C  C10  1  0.52  0.0  0.63  1.0
  C  C11  1  0.52  0.32  0.82  1.0
  C  C12  1  0.74  0.18  0.0  1.0
  C  C13  1  0.74  0.18  0.63  1.0
  C  C14  1  0.75  0.34  0.45  1.0
  C  C15  1  0.77  0.02  0.82  1.0

Na Na Na Na C C C C C C C C C C C C