data_[K6Ta2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.9030]
_cell_length_b [6.9030]
_cell_length_c [8.0763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [K3TaO8]
_chemical_formula_sum '[K6 Ta2 O16]'
_cell_volume [384.8401]
_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
[
  K  K0  4  0.0000  0.5000  0.2500  1.0
  K  K1  2  0.0000  0.0000  0.5000  1.0
  Ta  Ta2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.1398  0.8602  0.8147  1.0
  O  O4  8  0.2120  0.2120  0.0193  1.0
]