data_[Na4V8S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4552]
_cell_length_b [11.7252]
_cell_length_c [12.3722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na(VS2)2]
_chemical_formula_sum '[Na4 V8 S16]'
_cell_volume [501.2348]
_cell_formula_units_Z [4]
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  0.0000  0.3863  0.2500  1
  V  V1  8  0.0000  0.1315  0.0730  1
  S  S2  8  0.0000  0.2312  0.6025  1
  S  S3  4  0.0000  0.0792  0.2500  1
  S  S4  4  0.0000  0.5000  0.0000  1
]