data_SnAsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   6.02
_cell_angle_alpha   107.7
_cell_angle_beta   107.7
_cell_angle_gamma   41.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAsBr2
_chemical_formula_sum   'Sn1 As1 Br2'
_cell_volume   112.97
_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
  Sn  Sn3  1  0.11  0.0  0.85  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.51  0.0  0.36  1.0
  Br  Br2  1  0.71  0.0  0.33  1.0

data_SnAsBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   5.45
_cell_length_c   6.02
_cell_angle_alpha   107.7
_cell_angle_beta   90.0
_cell_angle_gamma   110.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAsBr2
_chemical_formula_sum   'Sn1 As1 Br2'
_cell_volume   112.97
_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
  Sn  Sn0  1  0.0  0.89  0.15  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.0  0.29  0.67  1.0
  Br  Br3  1  0.0  0.49  0.64  1.0

Sn As Br Br
Sn As Br Br 0 1 o o + 2 3 o o o 