data_SnPbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   129.08
_cell_angle_beta   129.08
_cell_angle_gamma   74.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPbBr2
_chemical_formula_sum   'Sn1 Pb1 Br2'
_cell_volume   116.82
_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  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.64  1.0
  Br  Br0  1  0.51  0.0  0.32  1.0
  Br  Br1  1  0.0  0.51  0.32  1.0

data_SnPbBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   127.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnPbBr2
_chemical_formula_sum   'Sn2 Pb2 Br4'
_cell_volume   233.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Pb  Pb1  2  0.0  0.0  0.64  1.0
  Br  Br2  4  0.25  0.25  0.81  1.0

Sn Pb Br Br
Sn Pb Br Br 0 3 o o o 0 2 o o o 0 1 o o - 1 2 - o o 1 3 o - o 