data_SnRu2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   152.65
_cell_angle_beta   141.55
_cell_angle_gamma   47.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnRu2Br
_chemical_formula_sum   'Sn1 Ru2 Br1'
_cell_volume   73.71
_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  0.51  0.0  0.39  1.0
  Ru  Ru1  1  0.51  0.0  0.66  1.0
  Ru  Ru2  1  0.0  0.0  0.99  1.0
  Br  Br0  1  0.0  0.0  0.44  1.0

data_SnRu2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.2
_cell_length_c   6.37
_cell_angle_alpha   109.22
_cell_angle_beta   103.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnRu2Br
_chemical_formula_sum   'Sn1 Ru2 Br1'
_cell_volume   73.71
_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  0.39  0.89  1.0
  Ru  Ru1  1  0.0  0.66  0.15  1.0
  Ru  Ru2  1  0.0  0.99  0.99  1.0
  Br  Br3  1  0.0  0.44  0.44  1.0

Sn Ru Ru Br