data_Sn2RuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.37
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   109.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2RuBr
_chemical_formula_sum   'Sn2 Ru1 Br1'
_cell_volume   93.78
_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
  Sn  Sn2  1  0.13  0.0  0.22  1.0
  Sn  Sn3  1  0.7  0.19  0.73  1.0
  Ru  Ru1  1  0.04  0.19  0.1  1.0
  Br  Br0  1  0.79  0.0  0.1  1.0

data_Sn2RuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.49
_cell_length_c   5.07
_cell_angle_alpha   109.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2RuBr
_chemical_formula_sum   'Sn2 Ru1 Br1'
_cell_volume   93.78
_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
  Sn  Sn0  1  0.0  0.87  0.78  1.0
  Sn  Sn1  1  0.81  0.3  0.27  1.0
  Ru  Ru2  1  0.81  0.96  0.9  1.0
  Br  Br3  1  0.0  0.21  0.9  1.0

Sn Sn Ru Br