data_[K4Ta6O16]
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 [C2/m]
_cell_length_a [13.1411]
_cell_length_b [6.3213]
_cell_length_c [5.3151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ta3O8]
_chemical_formula_sum '[K4 Ta6 O16]'
_cell_volume [417.3216]
_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  0.2273  0.5000  0.6725  1.0
  Ta  Ta1  4  0.0000  0.2682  0.0000  1.0
  Ta  Ta2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.0848  0.2185  0.3795  1.0
  O  O4  4  0.0864  0.0000  0.8940  1.0
  O  O5  4  0.0960  0.5000  0.9602  1.0
]