data_[Na2Yb2Ti4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Yb  1.1000  1.7500  1.0840
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6487]
_cell_length_b [5.5310]
_cell_length_c [5.3551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NaYbTi2O6]
_chemical_formula_sum '[Na2 Yb2 Ti4 O12]'
_cell_volume [226.5494]
_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
[
  Na  Na0  2  0.0000  0.2765  0.9984  1
  Yb  Yb1  2  0.0000  0.8166  0.5139  1
  Ti  Ti2  4  0.2484  0.2652  0.5124  1
  O  O3  4  0.2015  0.5531  0.6927  1
  O  O4  4  0.2135  0.0373  0.7786  1
  O  O5  2  0.0000  0.2282  0.4285  1
  O  O6  2  0.0000  0.7263  0.0919  1
]