data_[Ba2V4Se2O16]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8044]
_cell_length_b [5.7105]
_cell_length_c [7.7936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaV2SeO8]
_chemical_formula_sum '[Ba2 V4 Se2 O16]'
_cell_volume [391.1697]
_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  0.0000  0.0000  0.5000  1.0
  V  V1  4  0.1300  0.5000  0.7940  1.0
  Se  Se2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0169  0.2423  0.8095  1.0
  O  O4  4  0.1950  0.5000  0.5945  1.0
  O  O5  4  0.2248  0.0000  0.0458  1.0
]