data_[Ba12V16Zn4O56]
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
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3676]
_cell_length_b [14.1720]
_cell_length_c [14.2265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba3V4ZnO14]
_chemical_formula_sum '[Ba12 V16 Zn4 O56]'
_cell_volume [1404.3864]
_cell_formula_units_Z [4]
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  0.1151  0.5544  0.7837  1
  Ba  Ba1  4  0.2307  0.6050  0.4856  1
  Ba  Ba2  4  0.4434  0.2307  0.2024  1
  V  V3  4  0.0163  0.1879  0.2680  1
  V  V4  4  0.1963  0.1685  0.9485  1
  V  V5  4  0.3846  0.6126  0.0481  1
  V  V6  4  0.3986  0.0264  0.7378  1
  Zn  Zn7  4  0.1062  0.0995  0.5070  1
  O  O8  4  0.0040  0.1090  0.3583  1
  O  O9  4  0.0370  0.0754  0.9211  1
  O  O10  4  0.1020  0.1251  0.1887  1
  O  O11  4  0.1195  0.2495  0.5162  1
  O  O12  4  0.1627  0.5538  0.9863  1
  O  O13  4  0.1928  0.2217  0.8284  1
  O  O14  4  0.1929  0.7436  0.2995  1
  O  O15  4  0.2223  0.0976  0.6567  1
  O  O16  4  0.3050  0.5256  0.3183  1
  O  O17  4  0.3439  0.7244  0.0757  1
  O  O18  4  0.4110  0.5977  0.7012  1
  O  O19  4  0.4128  0.1279  0.0220  1
  O  O20  4  0.4740  0.1135  0.5252  1
  O  O21  4  0.4971  0.0590  0.3276  1
]