data_[Si2As2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9170]
_cell_length_b [5.0190]
_cell_length_c [8.0545]
_cell_angle_alpha [79.1107]
_cell_angle_beta [83.3753]
_cell_angle_gamma [84.3206]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SiAsBr]
_chemical_formula_sum '[Si2 As2 Br2]'
_cell_volume [193.2824]
_cell_formula_units_Z [2]
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  2  0.4522  0.2739  0.5609  1.0
  As  As1  2  0.1808  0.0820  0.3849  1.0
  Br  Br2  2  0.2459  0.3044  0.8243  1.0
]