data_[Si4Br8]
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_12_12_1]
_cell_length_a [4.0647]
_cell_length_b [7.6336]
_cell_length_c [14.6492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [SiBr2]
_chemical_formula_sum '[Si4 Br8]'
_cell_volume [454.5435]
_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  0.0226  0.6694  0.0098  1.0
  Br  Br1  4  0.0219  0.4513  0.9080  1.0
  Br  Br2  4  0.0226  0.5619  0.1519  1.0
]