data_[Si1Cl3F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4421]
_cell_length_b [18.3417]
_cell_length_c [6.1372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SiCl3F]
_chemical_formula_sum '[Si1 Cl3 F1]'
_cell_volume [556.1661]
_cell_formula_units_Z [1]
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  1  0.9946  0.5000  0.9822  1
  Cl  Cl1  2  0.9613  0.4089  0.1543  1
  Cl  Cl2  1  0.7187  0.5000  0.6362  1
  F  F3  1  0.2902  0.5000  0.9848  1
]