data_[Ba3Mg1Ta1Nb1O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.8519]
_cell_length_b [5.8519]
_cell_length_c [7.1908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ba3MgTaNbO9]
_chemical_formula_sum '[Ba3 Mg1 Ta1 Nb1 O9]'
_cell_volume [213.2519]
_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  1  0.0000  0.0000  0.6653  1.0
  Ba  Ba1  1  0.3333  0.6667  0.9996  1.0
  Ba  Ba2  1  0.6667  0.3333  0.3352  1.0
  Mg  Mg3  1  0.3333  0.6667  0.5015  1.0
  Ta  Ta4  1  0.6667  0.3333  0.8235  1.0
  Nb  Nb5  1  0.0000  0.0000  0.1778  1.0
  O  O6  3  0.1624  0.3247  0.3246  1.0
  O  O7  3  0.3356  0.1678  0.9989  1.0
  O  O8  3  0.5049  0.4951  0.6756  1.0
]