data_NaSnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02
_cell_length_b   9.02
_cell_length_c   9.02
_cell_angle_alpha   24.84
_cell_angle_beta   24.84
_cell_angle_gamma   24.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSnBr2
_chemical_formula_sum   'Na1 Sn1 Br2'
_cell_volume   113.78
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.1  1.0
  Br  Br0  1  0.0  0.0  0.85  1.0
  Br  Br1  1  0.0  0.0  0.35  1.0

data_NaSnBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.72
_cell_length_b   3.88
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   104.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaSnBr2
_chemical_formula_sum   'Na2 Sn2 Br4'
_cell_volume   227.57
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  -0.0  0.0  0.9  1.0
  Br  Br2  2  -0.0  0.0  0.65  1.0
  Br  Br3  2  -0.0  0.0  0.15  1.0

Na Sn Br Br