data_SiBrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   6.71
_cell_angle_alpha   152.4
_cell_angle_beta   129.25
_cell_angle_gamma   58.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBrCl2
_chemical_formula_sum   'Si1 Br1 Cl2'
_cell_volume   107.83
_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
  Br  Br0  1  0.0  0.0  0.85  1.0
  Cl  Cl1  1  0.6  0.0  0.78  1.0
  Cl  Cl2  1  0.0  0.88  0.07  1.0

data_SiBrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.75
_cell_length_c   6.71
_cell_angle_alpha   115.38
_cell_angle_beta   103.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBrCl2
_chemical_formula_sum   'Si1 Br1 Cl2'
_cell_volume   107.83
_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
  Br  Br1  1  0.15  0.15  0.15  1.0
  Cl  Cl2  1  0.82  0.22  0.82  1.0
  Cl  Cl3  1  0.93  0.81  0.81  1.0

Si Br Cl Cl