data_Sc5Re4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23
_cell_length_b   8.23
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Re4
_chemical_formula_sum   'Sc10 Re8'
_cell_volume   324.18
_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  Sc8  1  0.46  0.0  0.15  1.0
  Sc  Sc9  1  0.77  0.13  0.15  1.0
  Sc  Sc10  1  0.88  1.0  0.15  1.0
  Sc  Sc11  1  0.77  0.0  0.38  1.0
  Sc  Sc12  1  0.12  1.0  0.38  1.0
  Sc  Sc13  1  0.23  0.13  0.38  1.0
  Sc  Sc14  1  0.0  0.75  0.77  1.0
  Sc  Sc15  1  0.11  0.37  0.0  1.0
  Sc  Sc16  1  0.11  0.37  0.77  1.0
  Sc  Sc17  1  0.0  0.75  0.0  1.0
  Re  Re0  1  0.0  0.0  0.77  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.3  0.0  0.15  1.0
  Re  Re3  1  0.35  0.59  0.15  1.0
  Re  Re4  1  0.46  0.53  0.15  1.0
  Re  Re5  1  0.93  0.0  0.38  1.0
  Re  Re6  1  0.54  0.53  0.38  1.0
  Re  Re7  1  0.65  0.59  0.38  1.0

data_Sc5Re4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.53
_cell_length_b   8.23
_cell_length_c   8.23
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Re4
_chemical_formula_sum   'Sc10 Re8'
_cell_volume   324.18
_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  -0.0  0.11  0.37  1.0
  Sc  Sc1  1  -0.0  0.0  0.75  1.0
  Sc  Sc2  1  0.15  0.46  0.0  1.0
  Sc  Sc3  1  0.15  0.77  0.13  1.0
  Sc  Sc4  1  0.15  0.88  1.0  1.0
  Sc  Sc5  1  0.38  0.12  1.0  1.0
  Sc  Sc6  1  0.38  0.23  0.13  1.0
  Sc  Sc7  1  0.38  0.77  0.0  1.0
  Sc  Sc8  1  0.77  0.0  0.75  1.0
  Sc  Sc9  1  0.77  0.11  0.37  1.0
  Re  Re10  1  0.0  0.0  0.0  1.0
  Re  Re11  1  0.15  0.3  0.0  1.0
  Re  Re12  1  0.15  0.35  0.59  1.0
  Re  Re13  1  0.15  0.46  0.53  1.0
  Re  Re14  1  0.38  0.54  0.53  1.0
  Re  Re15  1  0.38  0.65  0.59  1.0
  Re  Re16  1  0.38  0.93  0.0  1.0
  Re  Re17  1  0.77  0.0  0.0  1.0

Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Re Re Re Re Re Re Re Re
Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Re Re Re Re Re Re Re Re 0 12 o o o 1 3 o o o 1 2 o - o 2 11 + + o 2 15 o + o 3 15 o o o 4 5 o + o 6 9 o o + 7 8 o o - 10 11 o o + 13 14 o o o 14 16 o o o 16 17 o o o 