data_[K3Sc1Ta2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0203]
_cell_length_b [6.0203]
_cell_length_c [7.6528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3ScTa2O8]
_chemical_formula_sum '[K3 Sc1 Ta2 O8]'
_cell_volume [240.2105]
_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  2  0.3333  0.6667  0.3227  1.0
  K  K1  1  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  1  0.0000  0.0000  0.5000  1.0
  Ta  Ta3  2  0.3333  0.6667  0.7561  1.0
  O  O4  6  0.1649  0.3299  0.6661  1.0
  O  O5  2  0.3333  0.6667  0.9939  1.0
]