data_[Ti4P4O16F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.3320]
_cell_length_b [7.3853]
_cell_length_c [7.4397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TiPO4F]
_chemical_formula_sum '[Ti4 P4 O16 F4]'
_cell_volume [354.0381]
_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
[
  Ti  Ti0  4  0.2500  0.2500  0.5000  1
  P  P1  4  0.0000  0.3819  0.7500  1
  O  O2  8  0.0953  0.2631  0.6484  1
  O  O3  8  0.1734  0.4955  0.4098  1
  F  F4  4  0.0000  0.1699  0.2500  1
]