data_NaC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.07
_cell_angle_alpha   116.13
_cell_angle_beta   116.13
_cell_angle_gamma   24.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaC
_chemical_formula_sum   'Na3 C3'
_cell_volume   86.18
_cell_formula_units_Z   3
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  Na3  1  0.79  0.0  0.11  1.0
  Na  Na4  1  0.85  0.0  0.95  1.0
  Na  Na5  1  0.37  0.0  0.73  1.0
  C  C0  1  0.75  0.0  0.87  1.0
  C  C1  1  0.18  0.0  0.86  1.0
  C  C2  1  0.87  0.0  0.06  1.0

data_NaC
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   6.07
_cell_length_c   6.17
_cell_angle_alpha   116.13
_cell_angle_beta   102.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaC
_chemical_formula_sum   'Na3 C3'
_cell_volume   86.18
_cell_formula_units_Z   3
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  0.11  0.79  1.0
  Na  Na1  1  0.0  0.73  0.37  1.0
  Na  Na2  1  0.0  0.95  0.85  1.0
  C  C3  1  0.0  0.06  0.87  1.0
  C  C4  1  0.0  0.86  0.18  1.0
  C  C5  1  0.0  0.87  0.75  1.0

Na Na Na C C C
Na Na Na C C C 0 5 o o o 1 3 o o o 1 5 o o + 2 4 o o o 