data_Sn2RhBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.27
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   108.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2RhBr
_chemical_formula_sum   'Sn2 Rh1 Br1'
_cell_volume   93.89
_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  Sn2  1  0.15  0.0  0.18  1.0
  Sn  Sn3  1  0.78  0.13  0.87  1.0
  Rh  Rh1  1  0.96  0.13  0.15  1.0
  Br  Br0  1  0.69  0.0  0.24  1.0

data_Sn2RhBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.44
_cell_length_c   5.23
_cell_angle_alpha   108.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2RhBr
_chemical_formula_sum   'Sn2 Rh1 Br1'
_cell_volume   93.89
_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  0.85  0.82  1.0
  Sn  Sn1  1  0.87  0.22  0.13  1.0
  Rh  Rh2  1  0.87  0.04  0.85  1.0
  Br  Br3  1  0.0  0.31  0.76  1.0

Sn Sn Rh Br
Sn Sn Rh Br 0 2 - o o 1 2 o o + 2 3 o o o 