data_[Si4O4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1419]
_cell_length_b [3.6057]
_cell_length_c [6.6152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SiOF]
_chemical_formula_sum '[Si4 O4 F4]'
_cell_volume [161.8416]
_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
[
  Si  Si0  4  0.1717  0.5000  0.0864  1
  O  O1  4  0.1974  0.0000  0.0510  1
  F  F2  4  0.1999  0.0000  0.6227  1
]