data_[Ba6V10O30]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4bm]
_cell_length_a [11.8502]
_cell_length_b [11.8502]
_cell_length_c [4.1517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [100]
_chemical_formula_structural [Ba3V5O15]
_chemical_formula_sum '[Ba6 V10 O30]'
_cell_volume [583.0232]
_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  0.1724  0.6724  0.9780  1
  Ba  Ba1  2  0.0000  0.0000  0.9753  1
  V  V2  8  0.0736  0.2153  0.4431  1
  V  V3  2  0.0000  0.5000  0.4422  1
  O  O4  8  0.0047  0.6538  0.5256  1
  O  O5  8  0.0731  0.2154  0.0357  1
  O  O6  8  0.0736  0.8571  0.5100  1
  O  O7  4  0.2135  0.2865  0.5098  1
  O  O8  2  0.0000  0.5000  0.0406  1
]