data_[Ba2V2Ag2S8]
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
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9326]
_cell_length_b [7.2632]
_cell_length_c [8.6663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaVAgS4]
_chemical_formula_sum '[Ba2 V2 Ag2 S8]'
_cell_volume [359.0552]
_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  0.2615  0.2500  0.0949  1.0
  V  V1  2  0.1858  0.7500  0.2960  1.0
  Ag  Ag2  2  0.3028  0.2500  0.6492  1.0
  S  S3  4  0.0349  0.0080  0.7330  1.0
  S  S4  2  0.3359  0.7500  0.0887  1.0
  S  S5  2  0.4329  0.7500  0.5288  1.0
]