data_Al3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   13.95
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3C
_chemical_formula_sum   'Al18 C6'
_cell_volume   399.08
_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
  Al  Al0  1  0.44  0.75  0.32  1.0
  Al  Al1  1  0.44  0.2  0.32  1.0
  Al  Al2  1  0.34  0.97  0.52  1.0
  Al  Al3  1  0.62  0.0  0.32  1.0
  Al  Al4  1  0.51  0.72  0.52  1.0
  Al  Al5  1  0.51  0.23  0.52  1.0
  Al  Al6  1  0.95  0.0  0.06  1.0
  Al  Al7  1  0.95  0.79  0.75  1.0
  Al  Al8  1  0.95  0.16  0.75  1.0
  Al  Al9  1  0.47  0.75  0.32  1.0
  Al  Al10  1  0.47  0.2  0.32  1.0
  Al  Al11  1  0.57  0.97  0.52  1.0
  Al  Al12  1  0.29  0.0  0.32  1.0
  Al  Al13  1  0.4  0.72  0.52  1.0
  Al  Al14  1  0.4  0.23  0.52  1.0
  Al  Al15  1  0.0  0.97  0.79  1.0
  Al  Al16  1  0.0  0.81  0.09  1.0
  Al  Al17  1  0.0  0.13  0.09  1.0
  C  C18  1  0.95  0.97  0.43  1.0
  C  C19  1  0.95  0.76  0.18  1.0
  C  C20  1  0.95  0.19  0.18  1.0
  C  C21  1  0.0  0.0  0.41  1.0
  C  C22  1  0.0  0.73  0.67  1.0
  C  C23  1  0.0  0.22  0.67  1.0

data_Al3C
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   5.91
_cell_length_c   13.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3C
_chemical_formula_sum   'Al18 C6'
_cell_volume   399.08
_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
  Al  Al0  1  0.06  0.95  0.0  1.0
  Al  Al1  1  0.09  -0.0  0.81  1.0
  Al  Al2  1  0.09  -0.0  0.13  1.0
  Al  Al3  1  0.32  0.44  0.2  1.0
  Al  Al4  1  0.32  0.44  0.75  1.0
  Al  Al5  1  0.32  0.47  0.2  1.0
  Al  Al6  1  0.32  0.47  0.75  1.0
  Al  Al7  1  0.32  0.29  0.0  1.0
  Al  Al8  1  0.32  0.62  0.0  1.0
  Al  Al9  1  0.52  0.34  0.97  1.0
  Al  Al10  1  0.52  0.57  0.97  1.0
  Al  Al11  1  0.52  0.4  0.23  1.0
  Al  Al12  1  0.52  0.4  0.72  1.0
  Al  Al13  1  0.52  0.51  0.23  1.0
  Al  Al14  1  0.52  0.51  0.72  1.0
  Al  Al15  1  0.75  0.95  0.16  1.0
  Al  Al16  1  0.75  0.95  0.79  1.0
  Al  Al17  1  0.79  -0.0  0.97  1.0
  C  C18  1  0.18  0.95  0.19  1.0
  C  C19  1  0.18  0.95  0.76  1.0
  C  C20  1  0.41  0.0  0.0  1.0
  C  C21  1  0.43  0.95  0.97  1.0
  C  C22  1  0.67  -0.0  0.73  1.0
  C  C23  1  0.67  -0.0  0.22  1.0

Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al C C C C C C