data_AlC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   3.9
_cell_angle_alpha   142.91
_cell_angle_beta   102.0
_cell_angle_gamma   89.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlC3
_chemical_formula_sum   'Al1 C3'
_cell_volume   33.7
_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  0.0  0.0  0.77  1.0
  C  C1  1  0.24  0.0  0.03  1.0
  C  C2  1  0.0  0.0  0.0  1.0
  C  C3  1  0.0  0.45  0.73  1.0

data_AlC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.48
_cell_length_b   3.9
_cell_length_c   3.9
_cell_angle_alpha   78.0
_cell_angle_beta   71.46
_cell_angle_gamma   71.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlC3
_chemical_formula_sum   'Al1 C3'
_cell_volume   33.7
_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  0.0  -0.0  0.77  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.0  0.76  0.03  1.0
  C  C3  1  0.45  -0.0  0.28  1.0

Al C C C
Al C C C 0 2 o o + 1 2 o o o 1 3 o - - 2 3 o - - 