data_SnBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   5.29
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   110.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBr3
_chemical_formula_sum   'Sn1 Br3'
_cell_volume   122.0
_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  0.32  0.0  0.54  1.0
  Br  Br0  1  0.73  0.65  0.36  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.9  0.65  0.72  1.0

data_SnBr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.53
_cell_length_b   5.29
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   110.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBr3
_chemical_formula_sum   'Sn1 Br3'
_cell_volume   122.0
_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  0.32  0.0  0.54  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.73  0.65  0.36  1.0
  Br  Br3  1  0.9  0.65  0.72  1.0

Sn Br Br Br