data_[Na4Ti4F16]
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 [7.2015]
_cell_length_b [11.5255]
_cell_length_c [5.1432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.4937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaTiF4]
_chemical_formula_sum '[Na4 Ti4 F16]'
_cell_volume [324.6389]
_cell_formula_units_Z [4]
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  0.3449  0.2500  1.0
  Ti  Ti1  4  0.0000  0.0901  0.7500  1.0
  F  F2  8  0.1535  0.2016  0.6721  1.0
  F  F3  8  0.2072  0.0396  0.2450  1.0
]