data_BaSbRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.96
_cell_length_b   9.96
_cell_length_c   9.96
_cell_angle_alpha   18.69
_cell_angle_beta   18.69
_cell_angle_gamma   18.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSbRu2
_chemical_formula_sum   'Ba1 Sb1 Ru2'
_cell_volume   88.56
_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
  Ba  Ba0  1  0.0  0.0  0.56  1.0
  Sb  Sb3  1  0.0  0.0  0.12  1.0
  Ru  Ru1  1  0.0  0.0  0.45  1.0
  Ru  Ru2  1  0.0  0.0  0.88  1.0

data_BaSbRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.6
_cell_length_b   3.23
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   100.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSbRu2
_chemical_formula_sum   'Ba2 Sb2 Ru4'
_cell_volume   177.13
_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
  Ba  Ba0  2  0.0  0.0  0.44  1.0
  Sb  Sb1  2  0.0  0.0  0.88  1.0
  Ru  Ru2  2  0.0  0.0  0.12  1.0
  Ru  Ru3  2  0.0  0.0  0.55  1.0

Ba Sb Ru Ru
Ba Sb Ru Ru 0 2 o o o 1 3 o o - 