data_[Ba4Ta2Ti1Zn1O12]
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
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8122]
_cell_length_b [5.8122]
_cell_length_c [8.2290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ba4Ta2TiZnO12]
_chemical_formula_sum '[Ba4 Ta2 Ti1 Zn1 O12]'
_cell_volume [277.9905]
_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  4  0.0000  0.5000  0.2570  1.0
  Ta  Ta1  1  0.0000  0.0000  0.0000  1.0
  Ta  Ta2  1  0.5000  0.5000  0.5000  1.0
  Ti  Ti3  1  0.5000  0.5000  0.0000  1.0
  Zn  Zn4  1  0.0000  0.0000  0.5000  1.0
  O  O5  4  0.2520  0.2520  0.0000  1.0
  O  O6  4  0.2596  0.2596  0.5000  1.0
  O  O7  2  0.0000  0.0000  0.2372  1.0
  O  O8  2  0.5000  0.5000  0.2437  1.0
]