data_AlC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   11.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlC2
_chemical_formula_sum   'Al3 C6'
_cell_volume   103.0
_cell_formula_units_Z   3
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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.83  0.34  1.0
  Al  Al2  1  0.58  0.91  0.51  1.0
  C  C3  1  0.0  0.0  0.23  1.0
  C  C4  1  0.0  0.0  0.62  1.0
  C  C5  1  0.0  0.83  0.39  1.0
  C  C6  1  0.58  0.91  0.46  1.0
  C  C7  1  0.0  0.83  0.13  1.0
  C  C8  1  0.58  0.91  0.72  1.0

data_AlC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   11.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlC2
_chemical_formula_sum   'Al3 C6'
_cell_volume   103.0
_cell_formula_units_Z   3
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  -0.0  0.83  0.34  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.58  0.91  0.51  1.0
  C  C3  1  -0.0  0.83  0.13  1.0
  C  C4  1  -0.0  0.83  0.39  1.0
  C  C5  1  0.0  0.0  0.23  1.0
  C  C6  1  0.0  0.0  0.62  1.0
  C  C7  1  0.58  0.91  0.46  1.0
  C  C8  1  0.58  0.91  0.72  1.0

Al Al Al C C C C C C
Al Al Al C C C C C C 0 7 o - o 1 5 o o o 1 3 o + o 2 6 o o o 2 4 + + o 3 7 o - o 4 8 - - o 