data_Sb3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64
_cell_length_b   9.64
_cell_length_c   9.64
_cell_angle_alpha   20.2
_cell_angle_beta   20.2
_cell_angle_gamma   20.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3Ru
_chemical_formula_sum   'Sb3 Ru1'
_cell_volume   93.56
_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  Sb1  1  0.0  0.0  0.77  1.0
  Sb  Sb2  1  0.0  0.0  0.17  1.0
  Sb  Sb3  1  0.0  0.0  0.57  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0

data_Sb3Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.86
_cell_length_b   3.38
_cell_length_c   9.64
_cell_angle_alpha   90.0
_cell_angle_beta   101.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sb3Ru
_chemical_formula_sum   'Sb6 Ru2'
_cell_volume   187.12
_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  0.0  0.0  0.23  1.0
  Sb  Sb1  2  0.0  0.0  0.43  1.0
  Sb  Sb2  2  0.0  0.0  0.83  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Sb Sb Sb Ru
Sb Sb Sb Ru 0 2 o o o 0 3 o o + 1 3 o o o 