data_Al2CO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   6.32
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CO
_chemical_formula_sum   'Al8 C4 O4'
_cell_volume   182.39
_cell_formula_units_Z   4
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  0.37  0.57  0.53  1.0
  Al  Al1  1  0.44  0.47  0.06  1.0
  Al  Al2  1  0.19  0.9  0.53  1.0
  Al  Al3  1  0.26  0.0  0.06  1.0
  Al  Al4  1  0.38  0.31  0.5  1.0
  Al  Al5  1  0.45  0.42  0.09  1.0
  Al  Al6  1  0.2  0.85  0.5  1.0
  Al  Al7  1  0.27  0.74  0.09  1.0
  C  C8  1  0.25  0.54  0.47  1.0
  C  C9  1  0.07  0.94  0.47  1.0
  C  C10  1  0.57  0.38  0.03  1.0
  C  C11  1  0.39  0.78  0.03  1.0
  O  O12  1  0.45  0.53  0.02  1.0
  O  O13  1  0.27  0.94  0.02  1.0
  O  O14  1  0.37  0.38  0.46  1.0
  O  O15  1  0.19  0.78  0.46  1.0

data_Al2CO
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.12
_cell_length_b   5.64
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CO
_chemical_formula_sum   'Al8 C4 O4'
_cell_volume   182.39
_cell_formula_units_Z   4
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  0.26  0.0  1.0
  Al  Al1  1  0.06  0.44  0.47  1.0
  Al  Al2  1  0.09  0.27  0.74  1.0
  Al  Al3  1  0.09  0.45  0.42  1.0
  Al  Al4  1  0.5  0.2  0.85  1.0
  Al  Al5  1  0.5  0.38  0.31  1.0
  Al  Al6  1  0.53  0.19  0.9  1.0
  Al  Al7  1  0.53  0.37  0.57  1.0
  C  C8  1  0.03  0.39  0.78  1.0
  C  C9  1  0.03  0.57  0.38  1.0
  C  C10  1  0.47  0.07  0.94  1.0
  C  C11  1  0.47  0.25  0.54  1.0
  O  O12  1  0.02  0.27  0.94  1.0
  O  O13  1  0.02  0.45  0.53  1.0
  O  O14  1  0.46  0.19  0.78  1.0
  O  O15  1  0.46  0.37  0.38  1.0

Al Al Al Al Al Al Al Al C C C C O O O O