data_[Na2V2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.2474]
_cell_length_b [3.8903]
_cell_length_c [7.7036]
_cell_angle_alpha [80.5488]
_cell_angle_beta [87.5103]
_cell_angle_gamma [87.2825]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaVC]
_chemical_formula_sum '[Na2 V2 C2]'
_cell_volume [95.8294]
_cell_formula_units_Z [2]
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  0.0962  0.4095  0.8634  1
  Na  Na1  1  0.6472  0.0134  0.5813  1
  V  V2  1  0.0053  0.6036  0.2558  1
  V  V3  1  0.4986  0.1090  0.1957  1
  C  C4  1  0.5051  0.6384  0.0857  1
  C  C5  1  0.6828  0.9085  0.9754  1
]