data_[Ba1V2Si1O8]
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 [P-3]
_cell_length_a [5.3240]
_cell_length_b [5.3240]
_cell_length_c [7.2157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [BaV2SiO8]
_chemical_formula_sum '[Ba1 V2 Si1 O8]'
_cell_volume [177.1301]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  V  V1  2  0.3333  0.6667  0.2839  1.0
  Si  Si2  1  0.0000  0.0000  0.5000  1.0
  O  O3  6  0.1046  0.7993  0.3518  1.0
  O  O4  2  0.3333  0.6667  0.0500  1.0
]