data_[Ba3Ta2In1O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ta  1.5000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9131]
_cell_length_b [5.9131]
_cell_length_c [7.2252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Ta2InO9]
_chemical_formula_sum '[Ba3 Ta2 In1 O9]'
_cell_volume [218.7786]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.3380  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Ta  Ta2  2  0.3333  0.6667  0.8369  1.0
  In  In3  1  0.0000  0.0000  0.5000  1.0
  O  O4  6  0.1729  0.8271  0.6774  1.0
  O  O5  3  0.0000  0.5000  0.0000  1.0
]