data_[Ba2Na2Ta2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3285]
_cell_length_b [6.3356]
_cell_length_c [7.2224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaNaTaO4]
_chemical_formula_sum '[Ba2 Na2 Ta2 O8]'
_cell_volume [272.0413]
_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  2  0.2649  0.2500  0.0400  1.0
  Na  Na1  2  0.1675  0.2500  0.4910  1.0
  Ta  Ta2  2  0.2886  0.7500  0.3303  1.0
  O  O3  4  0.0885  0.5205  0.2538  1.0
  O  O4  2  0.4499  0.7500  0.5983  1.0
  O  O5  2  0.4862  0.7500  0.1869  1.0
]