data_ReSbRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   129.93
_cell_angle_beta   129.93
_cell_angle_gamma   73.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSbRu2
_chemical_formula_sum   'Re1 Sb1 Ru2'
_cell_volume   62.36
_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
  Re  Re0  1  0.0  0.0  0.82  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.02  0.91  1.0
  Ru  Ru2  1  0.02  0.0  0.91  1.0

data_ReSbRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   126.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReSbRu2
_chemical_formula_sum   'Re2 Sb2 Ru4'
_cell_volume   124.73
_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
  Re  Re0  2  0.0  0.0  0.82  1.0
  Sb  Sb1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  4  0.49  0.49  0.89  1.0

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