data_SbRuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   144.23
_cell_angle_beta   144.23
_cell_angle_gamma   51.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbRuAu
_chemical_formula_sum   'Sb1 Ru1 Au1'
_cell_volume   55.0
_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  0.0  0.0  0.72  1.0
  Ru  Ru1  1  0.0  0.0  0.12  1.0
  Au  Au0  1  0.0  0.0  0.8  1.0

data_SbRuAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   115.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbRuAu
_chemical_formula_sum   'Sb2 Ru2 Au2'
_cell_volume   110.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.22  0.5  0.72  1.0
  Ru  Ru1  2  0.12  0.0  0.12  1.0
  Au  Au2  2  0.3  0.5  0.8  1.0

Sb Ru Au