data_[Na16Mg2Ti4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.6390]
_cell_length_b [8.8566]
_cell_length_c [10.7258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na8MgTi2O8]
_chemical_formula_sum '[Na16 Mg2 Ti4 O16]'
_cell_volume [630.6639]
_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  8  0.2323  0.1888  0.0541  1
  Na  Na1  4  0.0000  0.1520  0.7724  1
  Na  Na2  4  0.5000  0.1485  0.3087  1
  Mg  Mg3  2  0.5000  0.0000  0.8666  1
  Ti  Ti4  2  0.0000  0.0000  0.3400  1
  Ti  Ti5  2  0.5000  0.0000  0.6120  1
  O  O6  4  0.0000  0.1796  0.4297  1
  O  O7  4  0.2218  0.0000  0.2319  1
  O  O8  4  0.2870  0.0000  0.7304  1
  O  O9  4  0.5000  0.1692  0.5198  1
]