data_Ce3Al11
_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   150.18
_cell_angle_beta   107.62
_cell_angle_gamma   80.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3Al11
_chemical_formula_sum   'Ce3 Al11'
_cell_volume   281.79
_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
  Ce  Ce0  1  0.0  1.0  0.1  1.0
  Ce  Ce1  1  0.18  0.0  0.37  1.0
  Ce  Ce2  1  0.0  1.0  0.0  1.0
  Al  Al3  1  0.18  0.7  0.85  1.0
  Al  Al4  1  0.0  0.3  0.62  1.0
  Al  Al5  1  0.0  0.3  0.33  1.0
  Al  Al6  1  0.18  0.7  0.15  1.0
  Al  Al7  1  0.18  0.14  0.0  1.0
  Al  Al8  1  0.0  0.86  0.47  1.0
  Al  Al9  1  0.0  0.74  0.77  1.0
  Al  Al10  1  0.18  0.26  0.7  1.0
  Al  Al11  1  0.0  0.26  0.77  1.0
  Al  Al12  1  0.18  0.74  0.7  1.0
  Al  Al13  1  0.0  0.0  0.0  1.0

data_Ce3Al11
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   8.46
_cell_length_c   8.46
_cell_angle_alpha   72.38
_cell_angle_beta   75.09
_cell_angle_gamma   75.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3Al11
_chemical_formula_sum   'Ce3 Al11'
_cell_volume   281.79
_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
  Ce  Ce0  1  0.0  -0.0  1.0  1.0
  Ce  Ce1  1  0.1  -0.0  0.9  1.0
  Ce  Ce2  1  0.2  0.18  0.63  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0
  Al  Al4  1  0.33  0.0  0.97  1.0
  Al  Al5  1  0.47  -0.0  0.39  1.0
  Al  Al6  1  0.52  0.18  0.04  1.0
  Al  Al7  1  0.52  0.18  0.56  1.0
  Al  Al8  1  0.62  0.0  0.68  1.0
  Al  Al9  1  0.68  0.18  0.85  1.0
  Al  Al10  1  0.77  0.0  0.97  1.0
  Al  Al11  1  0.77  0.0  0.48  1.0
  Al  Al12  1  0.82  0.18  0.14  1.0
  Al  Al13  1  0.97  0.18  0.55  1.0

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