data_[Ba2Li2V2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  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 [6.0565]
_cell_length_b [7.0712]
_cell_length_c [8.5941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLiVS4]
_chemical_formula_sum '[Ba2 Li2 V2 S8]'
_cell_volume [352.3066]
_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
[
  Ba  Ba0  2  0.2621  0.2500  0.0934  1.0
  Li  Li1  2  0.2838  0.2500  0.6291  1.0
  V  V2  2  0.1917  0.7500  0.3001  1.0
  S  S3  4  0.0363  0.0095  0.7368  1.0
  S  S4  2  0.3725  0.7500  0.1141  1.0
  S  S5  2  0.4327  0.7500  0.5349  1.0
]