data_Sc3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33
_cell_length_b   5.52
_cell_length_c   8.3
_cell_angle_alpha   60.18
_cell_angle_beta   40.78
_cell_angle_gamma   79.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Ru2
_chemical_formula_sum   'Sc6 Ru4'
_cell_volume   179.73
_cell_formula_units_Z   2
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
  Sc  Sc4  1  0.82  0.33  0.23  1.0
  Sc  Sc5  1  0.72  0.25  0.23  1.0
  Sc  Sc6  1  0.21  0.64  0.62  1.0
  Sc  Sc7  1  0.11  0.72  0.62  1.0
  Sc  Sc8  1  0.77  0.79  0.99  1.0
  Sc  Sc9  1  0.39  0.39  0.83  1.0
  Ru  Ru0  1  0.41  0.53  0.59  1.0
  Ru  Ru1  1  0.13  0.05  0.59  1.0
  Ru  Ru2  1  0.8  0.65  0.21  1.0
  Ru  Ru3  1  0.75  0.92  0.21  1.0

data_Sc3Ru2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   7.33
_cell_angle_alpha   100.96
_cell_angle_beta   100.96
_cell_angle_gamma   119.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Ru2
_chemical_formula_sum   'Sc6 Ru4'
_cell_volume   179.73
_cell_formula_units_Z   2
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
  Sc  Sc0  1  0.25  0.77  0.05  1.0
  Sc  Sc1  1  0.33  0.77  0.95  1.0
  Sc  Sc2  1  0.39  0.17  0.78  1.0
  Sc  Sc3  1  0.64  0.38  0.17  1.0
  Sc  Sc4  1  0.72  0.38  0.27  1.0
  Sc  Sc5  1  0.79  0.01  0.23  1.0
  Ru  Ru6  1  0.05  0.41  0.27  1.0
  Ru  Ru7  1  0.53  0.41  0.99  1.0
  Ru  Ru8  1  0.65  0.79  0.99  1.0
  Ru  Ru9  1  0.92  0.79  0.05  1.0

Sc Sc Sc Sc Sc Sc Ru Ru Ru Ru