data_[Na2V4S6]
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 [P2_1/m]
_cell_length_a [7.4007]
_cell_length_b [3.3105]
_cell_length_c [9.1779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaV2S3]
_chemical_formula_sum '[Na2 V4 S6]'
_cell_volume [207.5414]
_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  2  0.2357  0.2500  0.2261  1
  V  V1  2  0.1976  0.7500  0.6683  1
  V  V2  2  0.4153  0.2500  0.8927  1
  S  S3  2  0.0590  0.7500  0.3819  1
  S  S4  2  0.2348  0.7500  0.9536  1
  S  S5  2  0.4132  0.2500  0.6424  1
]