data_SnIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.79
_cell_angle_alpha   100.28
_cell_angle_beta   100.28
_cell_angle_gamma   34.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnIr2Ru
_chemical_formula_sum   'Sn1 Ir2 Ru1'
_cell_volume   63.11
_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  0.18  0.0  0.35  1.0
  Ir  Ir0  1  0.66  0.0  0.61  1.0
  Ir  Ir1  1  0.7  0.0  0.1  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_SnIr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.79
_cell_length_c   4.85
_cell_angle_alpha   100.28
_cell_angle_beta   107.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnIr2Ru
_chemical_formula_sum   'Sn1 Ir2 Ru1'
_cell_volume   63.11
_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  0.35  0.18  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.1  0.7  1.0
  Ir  Ir3  1  0.0  0.61  0.66  1.0

Sn Ir Ir Ru