data_Sc3Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   13.88
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Re
_chemical_formula_sum   'Sc18 Re6'
_cell_volume   479.59
_cell_formula_units_Z   6
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  Sc6  1  0.86  0.2  0.71  1.0
  Sc  Sc7  1  0.86  0.69  0.71  1.0
  Sc  Sc8  1  0.61  0.94  0.71  1.0
  Sc  Sc9  1  0.84  0.0  0.3  1.0
  Sc  Sc10  1  0.59  0.14  0.3  1.0
  Sc  Sc11  1  0.59  0.74  0.3  1.0
  Sc  Sc12  1  0.0  0.0  0.0  1.0
  Sc  Sc13  1  0.0  0.63  0.71  1.0
  Sc  Sc14  1  0.0  0.26  0.71  1.0
  Sc  Sc15  1  0.04  0.2  0.71  1.0
  Sc  Sc16  1  0.04  0.69  0.71  1.0
  Sc  Sc17  1  0.29  0.94  0.71  1.0
  Sc  Sc18  1  0.06  0.0  0.3  1.0
  Sc  Sc19  1  0.31  0.14  0.3  1.0
  Sc  Sc20  1  0.31  0.74  0.3  1.0
  Sc  Sc21  1  0.45  0.94  0.0  1.0
  Sc  Sc22  1  0.45  0.69  0.3  1.0
  Sc  Sc23  1  0.45  0.2  0.3  1.0
  Re  Re0  1  0.0  0.94  0.32  1.0
  Re  Re1  1  0.0  0.28  0.89  1.0
  Re  Re2  1  0.0  0.6  0.89  1.0
  Re  Re3  1  0.45  0.0  0.69  1.0
  Re  Re4  1  0.45  0.22  0.11  1.0
  Re  Re5  1  0.45  0.66  0.11  1.0

data_Sc3Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.01
_cell_length_b   6.9
_cell_length_c   13.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Re
_chemical_formula_sum   'Sc18 Re6'
_cell_volume   479.59
_cell_formula_units_Z   6
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  0.45  0.94  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.3  0.45  0.2  1.0
  Sc  Sc3  1  0.3  0.45  0.69  1.0
  Sc  Sc4  1  0.3  0.31  0.14  1.0
  Sc  Sc5  1  0.3  0.31  0.74  1.0
  Sc  Sc6  1  0.3  0.59  0.14  1.0
  Sc  Sc7  1  0.3  0.59  0.74  1.0
  Sc  Sc8  1  0.3  0.06  0.0  1.0
  Sc  Sc9  1  0.3  0.84  0.0  1.0
  Sc  Sc10  1  0.71  0.29  0.94  1.0
  Sc  Sc11  1  0.71  0.61  0.94  1.0
  Sc  Sc12  1  0.71  0.04  0.2  1.0
  Sc  Sc13  1  0.71  0.04  0.69  1.0
  Sc  Sc14  1  0.71  0.86  0.2  1.0
  Sc  Sc15  1  0.71  0.86  0.69  1.0
  Sc  Sc16  1  0.71  -0.0  0.26  1.0
  Sc  Sc17  1  0.71  -0.0  0.63  1.0
  Re  Re18  1  0.11  0.45  0.22  1.0
  Re  Re19  1  0.11  0.45  0.66  1.0
  Re  Re20  1  0.32  -0.0  0.94  1.0
  Re  Re21  1  0.69  0.45  0.0  1.0
  Re  Re22  1  0.89  -0.0  0.28  1.0
  Re  Re23  1  0.89  -0.0  0.6  1.0

Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Re Re Re Re Re Re
Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Re Re Re Re Re Re 0 9 + o o 0 8 + o o 1 7 + o o 1 10 + o o 2 21 o + o 2 15 o o + 3 18 + - o 3 12 + o o 3 6 + o o 4 17 o o o 5 16 o o o 6 18 o - o 6 12 o o o 7 20 o o o 7 10 o o o 8 9 o o o 8 19 o o o 11 21 o + o 11 15 o o + 12 18 o - o 13 17 o o o 14 16 o o o 15 21 o + - 16 23 o o o 17 22 o o o 