data_[Si1Sn1Br2F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8120]
_cell_length_b [5.8120]
_cell_length_c [3.7372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [SiSnBr2F]
_chemical_formula_sum '[Si1 Sn1 Br2 F1]'
_cell_volume [126.2413]
_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  0.0000  0.0000  0.5000  1
  Sn  Sn1  1  0.5000  0.5000  0.5000  1
  Br  Br2  2  0.0000  0.5000  0.0000  1
  F  F3  1  0.0000  0.0000  0.0000  1
]