data_[Sc2Ta2Nb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.8333]
_cell_length_b [4.8333]
_cell_length_c [9.4340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [ScTaNbO6]
_chemical_formula_sum '[Sc2 Ta2 Nb2 O12]'
_cell_volume [220.3852]
_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
[
  Sc  Sc0  2  0.0000  0.0000  0.9982  1.0
  Ta  Ta1  2  0.0000  0.0000  0.3340  1.0
  Nb  Nb2  2  0.0000  0.0000  0.6673  1.0
  O  O3  4  0.1918  0.8082  0.4953  1.0
  O  O4  4  0.1977  0.8023  0.1764  1.0
  O  O5  4  0.2040  0.7960  0.8285  1.0
]