data_[Na8Ti8H8F48]
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
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5055]
_cell_length_b [6.1478]
_cell_length_c [10.5417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaTiHF6]
_chemical_formula_sum '[Na8 Ti8 H8 F48]'
_cell_volume [831.1160]
_cell_formula_units_Z [8]
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  4  0.0000  0.0010  0.7500  1
  Na  Na1  4  0.2500  0.2500  0.5000  1
  Ti  Ti2  8  0.1133  0.4651  0.1692  1
  H  H3  8  0.1073  0.0440  0.0340  1
  F  F4  8  0.0964  0.2456  0.6919  1
  F  F5  8  0.1006  0.1585  0.1433  1
  F  F6  8  0.1069  0.0410  0.4533  1
  F  F7  8  0.2049  0.4577  0.0765  1
  F  F8  8  0.2140  0.4473  0.3286  1
  F  F9  4  0.0000  0.4041  0.2500  1
  F  F10  4  0.0000  0.5000  0.0000  1
]