data_[K3Ta3B2O12]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.8840]
_cell_length_b [8.8840]
_cell_length_c [3.9477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [K3Ta3(BO6)2]
_chemical_formula_sum '[K3 Ta3 B2 O12]'
_cell_volume [269.8308]
_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  3  0.0000  0.5962  0.5000  1.0
  Ta  Ta1  3  0.0000  0.2467  0.0000  1.0
  B  B2  2  0.3333  0.6667  0.0000  1.0
  O  O3  6  0.1885  0.5032  0.0000  1.0
  O  O4  3  0.0000  0.2630  0.5000  1.0
  O  O5  3  0.0000  0.8210  0.0000  1.0
]