data_[Ba2V4Si2O16]
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
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1032]
_cell_length_b [5.3044]
_cell_length_c [7.4870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaV2SiO8]
_chemical_formula_sum '[Ba2 V4 Si2 O16]'
_cell_volume [320.5297]
_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  0.0000  1
  V  V1  4  0.1249  0.5000  0.3048  1
  Si  Si2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.0032  0.2299  0.3262  1
  O  O4  4  0.1789  0.5000  0.0922  1
  O  O5  4  0.2165  0.0000  0.5292  1
]