data_Al5C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   135.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5C
_chemical_formula_sum   'Al5 C1'
_cell_volume   90.53
_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
  Al  Al0  1  0.47  0.74  0.5  1.0
  Al  Al1  1  0.47  0.38  0.0  1.0
  Al  Al2  1  0.47  0.0  0.5  1.0
  Al  Al3  1  0.47  0.62  0.0  1.0
  Al  Al4  1  0.47  0.26  0.5  1.0
  C  C5  1  0.0  0.0  0.0  1.0

data_Al5C
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.95
_cell_length_b   3.0
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   112.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Al5C
_chemical_formula_sum   'Al5 C1'
_cell_volume   90.53
_cell_formula_units_Z   1
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
  Al  Al0  1  0.0  0.5  0.53  1.0
  Al  Al1  1  0.26  0.5  0.78  1.0
  Al  Al2  1  0.38  0.0  0.91  1.0
  Al  Al3  1  0.62  0.0  0.14  1.0
  Al  Al4  1  0.74  0.5  0.27  1.0
  C  C5  1  0.0  0.0  0.0  1.0

Al Al Al Al Al C
CAl5 crystallizes in the triclinic P1 space group. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded in a trigonal planar geometry to one Al(3) and two equivalent Al(4) atoms. The Al(1)-Al(3) bond length is 1.68 Å. There is one shorter (1.72 Å) and one longer (1.73 Å) Al(1)-Al(4) bond length. In the second Al site, Al(2) is bonded to one Al(4), two equivalent Al(5), and one C(1) atom to form corner-sharing AlAl3C trigonal pyramids. The Al(2)-Al(4) bond length is 1.52 Å. There is one shorter (1.72 Å) and one longer (1.73 Å) Al(2)-Al(5) bond length. The Al(2)-C(1) bond length is 2.20 Å. In the third Al site, Al(3) is bonded in a linear geometry to one Al(1) and one Al(5) atom. The Al(3)-Al(5) bond length is 1.68 Å. In the fourth Al site, Al(4) is bonded to one Al(2), two equivalent Al(1), and one C(1) atom to form corner-sharing AlAl3C trigonal pyramids. The Al(4)-C(1) bond length is 2.41 Å. In the fifth Al site, Al(5) is bonded in a trigonal planar geometry to one Al(3) and two equivalent Al(2) atoms. C(1) is bonded in a linear geometry to one Al(2) and one Al(4) atom.