data_[K1La1Ta1Al1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Ta  1.5000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9654]
_cell_length_b [3.9654]
_cell_length_c [7.8659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [KLaTaAlO6]
_chemical_formula_sum '[K1 La1 Ta1 Al1 O6]'
_cell_volume [123.6859]
_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
[
  K  K0  1  0.5000  0.5000  0.2665  1.0
  La  La1  1  0.5000  0.5000  0.7107  1.0
  Ta  Ta2  1  0.0000  0.0000  0.0085  1.0
  Al  Al3  1  0.0000  0.0000  0.4972  1.0
  O  O4  2  0.0000  0.5000  0.5205  1.0
  O  O5  2  0.0000  0.5000  0.9872  1.0
  O  O6  1  0.0000  0.0000  0.2530  1.0
  O  O7  1  0.0000  0.0000  0.7486  1.0
]