data_[Si4Br16]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [11.2315]
_cell_length_b [7.3402]
_cell_length_c [11.3811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SiBr4]
_chemical_formula_sum '[Si4 Br16]'
_cell_volume [915.2524]
_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  0.2481  0.5781  0.6415  1.0
  Br  Br1  4  0.0931  0.0586  0.1962  1.0
  Br  Br2  4  0.1961  0.6374  0.0892  1.0
  Br  Br3  4  0.2938  0.0673  0.9869  1.0
  Br  Br4  4  0.4088  0.5762  0.7942  1.0
]