data_Sm2Sc3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16
_cell_length_b   14.14
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2Sc3Si4
_chemical_formula_sum   'Sm8 Sc12 Si16'
_cell_volume   755.62
_cell_formula_units_Z   4
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
  Sm  Sm0  1  0.08  0.76  0.29  1.0
  Sm  Sm1  1  0.08  0.38  0.17  1.0
  Sm  Sm2  1  0.5  0.38  0.02  1.0
  Sm  Sm3  1  0.08  0.69  0.17  1.0
  Sm  Sm4  1  0.66  0.76  0.44  1.0
  Sm  Sm5  1  0.08  0.45  0.29  1.0
  Sm  Sm6  1  0.66  0.45  0.44  1.0
  Sm  Sm7  1  0.5  0.69  0.02  1.0
  Sc  Sc8  1  0.15  0.54  0.74  1.0
  Sc  Sc9  1  0.01  0.61  0.72  1.0
  Sc  Sc10  1  0.43  0.61  0.01  1.0
  Sc  Sc11  1  0.73  0.54  0.45  1.0
  Sc  Sc12  1  0.36  0.3  0.31  1.0
  Sc  Sc13  1  0.8  0.84  0.15  1.0
  Sc  Sc14  1  0.22  0.84  0.05  1.0
  Sc  Sc15  1  0.8  0.37  0.15  1.0
  Sc  Sc16  1  0.94  0.3  0.42  1.0
  Sc  Sc17  1  0.36  0.77  0.31  1.0
  Sc  Sc18  1  0.94  0.77  0.42  1.0
  Sc  Sc19  1  0.22  0.37  0.05  1.0
  Si  Si20  1  0.24  0.54  0.92  1.0
  Si  Si21  1  0.92  0.61  0.54  1.0
  Si  Si22  1  0.34  0.61  0.65  1.0
  Si  Si23  1  0.82  0.54  0.81  1.0
  Si  Si24  1  0.06  0.54  0.56  1.0
  Si  Si25  1  0.1  0.61  0.9  1.0
  Si  Si26  1  0.52  0.61  0.83  1.0
  Si  Si27  1  0.64  0.54  0.63  1.0
  Si  Si28  1  0.1  0.51  0.46  1.0
  Si  Si29  1  0.06  0.63  0.0  1.0
  Si  Si30  1  0.48  0.63  0.19  1.0
  Si  Si31  1  0.06  0.58  0.0  1.0
  Si  Si32  1  0.68  0.51  0.27  1.0
  Si  Si33  1  0.1  0.56  0.46  1.0
  Si  Si34  1  0.68  0.56  0.27  1.0
  Si  Si35  1  0.48  0.58  0.19  1.0

data_Sm2Sc3Si4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.16
_cell_length_b   7.46
_cell_length_c   14.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sm2Sc3Si4
_chemical_formula_sum   'Sm8 Sc12 Si16'
_cell_volume   755.62
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Sm  Sm0  2  0.08  0.71  0.19  1.0
  Sm  Sm1  2  0.08  0.71  0.88  1.0
  Sm  Sm2  2  0.5  0.56  0.88  1.0
  Sm  Sm3  2  0.5  0.56  0.19  1.0
  Sc  Sc4  2  0.15  0.72  0.96  1.0
  Sc  Sc5  2  0.22  0.42  0.27  1.0
  Sc  Sc6  2  0.22  0.42  0.8  1.0
  Sc  Sc7  2  0.36  0.69  0.73  1.0
  Sc  Sc8  2  0.36  0.69  0.2  1.0
  Sc  Sc9  2  0.43  0.99  0.04  1.0
  Si  Si10  2  0.06  0.9  0.96  1.0
  Si  Si11  2  0.1  0.54  0.94  1.0
  Si  Si12  2  0.1  0.54  0.99  1.0
  Si  Si13  2  0.24  0.08  0.96  1.0
  Si  Si14  2  0.34  0.81  0.04  1.0
  Si  Si15  2  0.48  0.83  0.96  1.0
  Si  Si16  2  0.48  0.27  0.06  1.0
  Si  Si17  2  0.48  0.27  0.01  1.0

Sm Sm Sm Sm Sm Sm Sm Sm Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si
Sm Sm Sm Sm Sm Sm Sm Sm Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si 0 18 - o o 0 3 o o o 0 13 - o o 0 14 o o o 0 17 o o o 1 5 o o o 1 19 o o o 1 12 o o o 1 15 - o o 1 16 - o o 2 19 o o o 2 15 o o o 2 12 o o o 3 29 o o o 3 13 - o o 3 14 o o o 3 17 o o o 4 17 o o o 4 18 o o o 4 13 o o o 5 28 o o o 5 12 o o o 5 15 - o o 5 16 - o o 6 32 o o o 6 11 o o o 6 15 o o o 6 16 o o o 7 10 o o o 7 30 o o o 7 14 o o o 7 17 o o o 8 24 o o o 8 9 o o o 8 25 o o o 8 20 o o o 8 22 o o o 9 21 - o o 9 24 o o o 9 25 o o o 9 23 - o o 10 35 o o o 10 26 o o - 10 30 o o o 11 32 o o o 11 34 o o o 11 27 o o o 12 19 o o o 13 18 o o o 14 17 o o o 15 32 o o o 15 16 o o o 17 30 o o o 20 25 o o o 20 31 o o + 21 33 + o o 21 24 + o o 22 26 o o o 23 27 o o o 24 28 o o o 24 33 o o o 25 31 o o + 25 29 o o + 28 33 o o o 29 31 o o o 30 35 o o o 32 34 o o o 