data_SnGeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   3.59
_cell_angle_alpha   106.78
_cell_angle_beta   106.78
_cell_angle_gamma   107.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGeBr2
_chemical_formula_sum   'Sn1 Ge1 Br2'
_cell_volume   106.94
_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  0.55  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.9  0.6  0.57  1.0
  Br  Br1  1  0.9  0.4  0.57  1.0

data_SnGeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   107.12
_cell_angle_beta   106.78
_cell_angle_gamma   106.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGeBr2
_chemical_formula_sum   'Sn1 Ge1 Br2'
_cell_volume   106.94
_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  0.55  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.57  0.9  0.6  1.0
  Br  Br3  1  0.57  0.9  0.4  1.0

Sn Ge Br Br