data_[Na32Ti32F112]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9742]
_cell_length_b [7.5213]
_cell_length_c [24.9767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2Ti2F7]
_chemical_formula_sum '[Na32 Ti32 F112]'
_cell_volume [2399.3883]
_cell_formula_units_Z [16]
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  0.1248  0.0086  0.3793  1
  Na  Na1  8  0.2479  0.0340  0.2546  1
  Na  Na2  4  0.0000  0.0000  0.0000  1
  Na  Na3  4  0.0000  0.2096  0.7500  1
  Na  Na4  4  0.0000  0.5000  0.0000  1
  Na  Na5  4  0.2500  0.2500  0.5000  1
  Ti  Ti6  8  0.1165  0.4974  0.8709  1
  Ti  Ti7  8  0.1228  0.2636  0.1257  1
  Ti  Ti8  8  0.1268  0.7617  0.1256  1
  Ti  Ti9  4  0.0000  0.2504  0.2500  1
  Ti  Ti10  4  0.2500  0.2500  0.0000  1
  F  F11  8  0.0210  0.2795  0.8571  1
  F  F12  8  0.0291  0.3268  0.4058  1
  F  F13  8  0.0652  0.0116  0.1095  1
  F  F14  8  0.0849  0.0514  0.2908  1
  F  F15  8  0.0901  0.5418  0.7878  1
  F  F16  8  0.0921  0.2685  0.5434  1
  F  F17  8  0.1207  0.2416  0.2064  1
  F  F18  8  0.1357  0.2877  0.0459  1
  F  F19  8  0.1558  0.5781  0.4506  1
  F  F20  8  0.1634  0.2065  0.7077  1
  F  F21  8  0.1678  0.0306  0.9703  1
  F  F22  8  0.1881  0.4902  0.6415  1
  F  F23  8  0.2234  0.3011  0.3871  1
  F  F24  8  0.2291  0.3310  0.8542  1
]