data_Sb2PdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.82
_cell_angle_alpha   99.38
_cell_angle_beta   99.38
_cell_angle_gamma   37.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2PdRu
_chemical_formula_sum   'Sb2 Pd1 Ru1'
_cell_volume   77.05
_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
  Sb  Sb2  1  0.02  0.0  0.37  1.0
  Sb  Sb3  1  0.86  0.0  0.12  1.0
  Pd  Pd0  1  0.49  0.0  0.63  1.0
  Ru  Ru1  1  0.97  0.0  1.0  1.0

data_Sb2PdRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.82
_cell_length_c   5.14
_cell_angle_alpha   99.38
_cell_angle_beta   108.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2PdRu
_chemical_formula_sum   'Sb2 Pd1 Ru1'
_cell_volume   77.05
_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
  Sb  Sb0  1  0.0  0.12  0.86  1.0
  Sb  Sb1  1  0.0  0.37  0.02  1.0
  Pd  Pd2  1  0.0  0.63  0.49  1.0
  Ru  Ru3  1  0.0  1.0  0.97  1.0

Sb Sb Pd Ru