data_Sm3Al11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46
_cell_length_b   8.46
_cell_length_c   8.46
_cell_angle_alpha   150.36
_cell_angle_beta   107.44
_cell_angle_gamma   80.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al11
_chemical_formula_sum   'Sm3 Al11'
_cell_volume   279.88
_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
  Sm  Sm0  1  0.0  0.0  0.0  1.0
  Sm  Sm1  1  0.0  0.0  0.1  1.0
  Sm  Sm2  1  0.16  0.0  0.36  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0
  Al  Al4  1  0.0  0.85  0.46  1.0
  Al  Al5  1  0.16  0.15  0.0  1.0
  Al  Al6  1  0.0  0.3  0.32  1.0
  Al  Al7  1  0.16  0.71  0.14  1.0
  Al  Al8  1  0.16  0.71  0.86  1.0
  Al  Al9  1  0.0  0.3  0.61  1.0
  Al  Al10  1  0.0  0.26  0.77  1.0
  Al  Al11  1  0.16  0.74  0.69  1.0
  Al  Al12  1  0.0  0.75  0.77  1.0
  Al  Al13  1  0.16  0.26  0.69  1.0

data_Sm3Al11
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   8.46
_cell_length_c   8.46
_cell_angle_alpha   72.56
_cell_angle_beta   75.18
_cell_angle_gamma   75.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al11
_chemical_formula_sum   'Sm3 Al11'
_cell_volume   279.88
_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
  Sm  Sm0  1  0.0  -0.0  0.0  1.0
  Sm  Sm1  1  0.1  -0.0  0.9  1.0
  Sm  Sm2  1  0.2  0.16  0.64  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0
  Al  Al4  1  0.32  -0.0  0.98  1.0
  Al  Al5  1  0.46  -0.0  0.39  1.0
  Al  Al6  1  0.53  0.16  0.05  1.0
  Al  Al7  1  0.53  0.16  0.56  1.0
  Al  Al8  1  0.61  0.0  0.69  1.0
  Al  Al9  1  0.69  0.16  0.85  1.0
  Al  Al10  1  0.77  0.0  0.98  1.0
  Al  Al11  1  0.77  0.0  0.49  1.0
  Al  Al12  1  0.84  0.16  0.15  1.0
  Al  Al13  1  0.98  0.16  0.56  1.0

Sm Sm Sm Al Al Al Al Al Al Al Al Al Al Al 0 3 o o o 0 1 o o o 0 5 o o o 0 6 o o o 0 12 o - - 1 3 o o o 1 6 o o o 2 13 o o o 2 7 o - o 3 5 o o o 3 6 o o o 3 12 o - - 4 10 o + o 5 11 o - - 8 11 o o o 8 12 o o o 9 13 o o o 9 10 o o o 10 13 o o o 11 12 o o o 