data_[Ba2Na2Ta2]
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
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6830]
_cell_length_b [3.6830]
_cell_length_c [15.5540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [BaNaTa]
_chemical_formula_sum '[Ba2 Na2 Ta2]'
_cell_volume [210.9875]
_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  0.0000  0.5000  0.3054  1
  Na  Na1  2  0.0000  0.5000  0.9103  1
  Ta  Ta2  2  0.0000  0.5000  0.5317  1
]