data_[Ba2V2As4O16]
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
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4203]
_cell_length_b [5.5166]
_cell_length_c [7.9293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaV(AsO4)2]
_chemical_formula_sum '[Ba2 V2 As4 O16]'
_cell_volume [367.2792]
_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  2  0.0000  0.0000  0.0000  1.0
  As  As2  4  0.1309  0.5000  0.7998  1.0
  O  O3  8  0.0125  0.2443  0.8177  1.0
  O  O4  4  0.1904  0.5000  0.6007  1.0
  O  O5  4  0.2260  0.0000  0.0325  1.0
]