data_[Ba4V2B4O12]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5493]
_cell_length_b [5.3975]
_cell_length_c [6.5227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2V(BO3)2]
_chemical_formula_sum '[Ba4 V2 B4 O12]'
_cell_volume [294.8586]
_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  4  0.2149  0.0000  0.6836  1.0
  V  V1  2  0.0000  0.0000  0.0000  1.0
  B  B2  4  0.0730  0.5000  0.7696  1.0
  O  O3  8  0.0080  0.2767  0.2539  1.0
  O  O4  4  0.2320  0.5000  0.8198  1.0
]