data_[Ba4V2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.3301]
_cell_length_b [6.8173]
_cell_length_c [7.2340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.8264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba2VS5]
_chemical_formula_sum '[Ba4 V2 S10]'
_cell_volume [441.3486]
_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  0.2567  0.0000  0.7725  1.0
  Ba  Ba1  2  0.2630  0.5000  0.2744  1.0
  V  V2  2  0.4556  0.5000  0.9247  1.0
  S  S3  4  0.0191  0.1916  0.2497  1.0
  S  S4  4  0.0213  0.2480  0.8059  1.0
  S  S5  2  0.2213  0.5000  0.6943  1.0
]