data_[Na2Sc4Ti4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1403]
_cell_length_b [16.8016]
_cell_length_c [4.2814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NaSc2Ti2O7]
_chemical_formula_sum '[Na2 Sc4 Ti4 O14]'
_cell_volume [297.8320]
_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  0.0000  0.8744  1
  Sc  Sc1  4  0.0000  0.2459  0.5180  1
  Ti  Ti2  4  0.0000  0.3911  0.9554  1
  O  O3  4  0.0000  0.1224  0.5166  1
  O  O4  4  0.0000  0.2656  0.0214  1
  O  O5  4  0.0000  0.3758  0.5387  1
  O  O6  2  0.0000  0.5000  0.0258  1
]