data_[Ba2V4Te2O16]
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
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0228]
_cell_length_b [5.8523]
_cell_length_c [7.9720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaV2TeO8]
_chemical_formula_sum '[Ba2 V4 Te2 O16]'
_cell_volume [420.5843]
_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  0.1316  0.5000  0.7827  1.0
  Te  Te2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0225  0.2470  0.7990  1.0
  O  O4  4  0.2033  0.5000  0.5908  1.0
  O  O5  4  0.2319  0.0000  0.0567  1.0
]