data_[Si1Br2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4878]
_cell_length_b [18.2874]
_cell_length_c [5.1427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Si(BrF)2]
_chemical_formula_sum '[Si1 Br2 F2]'
_cell_volume [419.5977]
_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  0.7794  0.0000  0.4568  1
  Br  Br1  2  0.0259  0.0899  0.6958  1
  F  F2  2  0.5996  0.0629  0.2779  1
]