data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm2 Al6'
_cell_volume   164.17
_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
  Sm  Sm0  1  0.2  0.85  0.46  1.0
  Sm  Sm1  1  0.0  0.7  0.15  1.0
  Al  Al2  1  0.02  0.8  0.15  1.0
  Al  Al3  1  0.0  0.6  0.46  1.0
  Al  Al4  1  0.81  0.75  0.46  1.0
  Al  Al5  1  0.19  0.75  0.46  1.0
  Al  Al6  1  0.2  0.94  0.15  1.0
  Al  Al7  1  0.39  0.8  0.15  1.0

data_SmAl3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.62
_cell_length_b   6.41
_cell_length_c   6.41
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm2 Al6'
_cell_volume   164.17
_cell_formula_units_Z   2
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  0.15  0.1  0.58  1.0
  Al  Al1  2  0.15  0.08  0.47  1.0
  Al  Al2  2  0.15  0.71  0.47  1.0
  Al  Al3  2  0.15  0.9  0.33  1.0

Sm Sm Al Al Al Al Al Al
Sm Sm Al Al Al Al Al Al 0 5 o o o 0 7 o o o 1 2 o o o 1 4 - o o 2 4 - o o 2 6 o o o 3 5 o o o 3 4 - o o 5 7 o o o 6 7 o o o 