data_[Ba4V2H2O6]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9457]
_cell_length_b [4.1019]
_cell_length_c [13.5380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba2VHO3]
_chemical_formula_sum '[Ba4 V2 H2 O6]'
_cell_volume [219.1081]
_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  4  0.0000  0.0000  0.3538  1.0
  V  V1  2  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.0000  0.5000  0.5000  1.0
  O  O3  4  0.0000  0.0000  0.1506  1.0
  O  O4  2  0.0000  0.5000  0.0000  1.0
]