data_[Ba6Zr3V9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1129]
_cell_length_b [7.1129]
_cell_length_c [17.4857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2ZrV3O12]
_chemical_formula_sum '[Ba6 Zr3 V9 O36]'
_cell_volume [766.1319]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3745  1
  Zr  Zr1  3  0.0000  0.0000  0.0000  1
  V  V2  9  0.0000  0.5000  0.5000  1
  O  O3  18  0.0309  0.5155  0.6083  1
  O  O4  18  0.0808  0.5404  0.8423  1
]