data_[Na6V6Si6]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1982]
_cell_length_b [4.1982]
_cell_length_c [24.7871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaVSi]
_chemical_formula_sum '[Na6 V6 Si6]'
_cell_volume [378.3393]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.0023  1
  Na  Na1  3  0.0000  0.0000  0.4286  1
  V  V2  3  0.0000  0.0000  0.2491  1
  V  V3  3  0.0000  0.0000  0.8712  1
  Si  Si4  3  0.0000  0.0000  0.1556  1
  Si  Si5  3  0.0000  0.0000  0.5816  1
]