data_SiAu2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.48
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAu2Br
_chemical_formula_sum   'Si1 Au2 Br1'
_cell_volume   83.31
_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  Si3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.42  0.74  0.58  1.0
  Au  Au1  1  0.42  0.74  0.84  1.0
  Br  Br2  1  0.0  0.0  0.21  1.0

data_SiAu2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.48
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAu2Br
_chemical_formula_sum   'Si1 Au2 Br1'
_cell_volume   83.31
_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  0.0  0.0  0.0  1.0
  Au  Au1  1  0.42  0.74  0.58  1.0
  Au  Au2  1  0.42  0.74  0.84  1.0
  Br  Br3  1  0.0  0.0  0.21  1.0

Si Au Au Br