data_[Na8V8]
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
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [11.1133]
_cell_length_b [11.1133]
_cell_length_c [2.9737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [NaV]
_chemical_formula_sum '[Na8 V8]'
_cell_volume [367.2685]
_cell_formula_units_Z [8]
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  4  0.0944  0.6095  0.5000  1
  Na  Na1  4  0.1166  0.1850  0.0000  1
  V  V2  4  0.2755  0.3926  0.5000  1
  V  V3  4  0.3482  0.5538  0.0000  1
]