data_SiBi2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.5
_cell_length_b   7.5
_cell_length_c   4.2
_cell_angle_alpha   102.83
_cell_angle_beta   102.83
_cell_angle_gamma   30.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBi2Br
_chemical_formula_sum   'Si1 Bi2 Br1'
_cell_volume   117.98
_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  0.14  0.0  0.8  1.0
  Bi  Bi0  1  0.97  0.0  0.35  1.0
  Bi  Bi1  1  0.03  0.0  0.99  1.0
  Br  Br2  1  0.11  0.0  0.98  1.0

data_SiBi2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.2
_cell_length_c   7.5
_cell_angle_alpha   102.83
_cell_angle_beta   105.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBi2Br
_chemical_formula_sum   'Si1 Bi2 Br1'
_cell_volume   117.98
_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  0.8  0.14  1.0
  Bi  Bi1  1  0.0  0.35  0.97  1.0
  Bi  Bi2  1  0.0  0.99  0.03  1.0
  Br  Br3  1  0.0  0.98  0.11  1.0

Si Bi Bi Br