data_Na3C4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   2.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3C4
_chemical_formula_sum   'Na3 C4'
_cell_volume   112.9
_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
  Na  Na4  1  0.78  0.08  0.29  1.0
  Na  Na5  1  0.55  0.0  0.29  1.0
  Na  Na6  1  0.22  0.08  0.29  1.0
  C  C0  1  0.0  0.0  0.93  1.0
  C  C1  1  0.0  0.0  0.65  1.0
  C  C2  1  0.0  0.1  0.0  1.0
  C  C3  1  0.55  0.05  0.0  1.0

data_Na3C4
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3C4
_chemical_formula_sum   'Na3 C4'
_cell_volume   112.9
_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
  Na  Na0  1  0.29  0.22  0.08  1.0
  Na  Na1  1  0.29  0.55  0.0  1.0
  Na  Na2  1  0.29  0.78  0.08  1.0
  C  C3  1  -0.0  0.0  0.1  1.0
  C  C4  1  -0.0  0.55  0.05  1.0
  C  C5  1  0.65  0.0  0.0  1.0
  C  C6  1  0.93  0.0  0.0  1.0

Na Na Na C C C C
Na Na Na C C C C 0 6 o o o 0 1 o o o 0 5 + o o 1 6 o o o 2 3 o o - 2 4 o o o 2 5 o o o 3 5 o o + 3 4 o o o 