data_[Sr4Sc2Nb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9563]
_cell_length_b [5.7635]
_cell_length_c [5.7884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2ScNbO6]
_chemical_formula_sum '[Sr4 Sc2 Nb2 O12]'
_cell_volume [270.6802]
_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
[
  Sr  Sr0  4  0.2498  0.0000  0.7425  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0379  0.7453  0.2941  1.0
  O  O4  4  0.2438  0.5000  0.8140  1.0
]