data_AlC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   7.95
_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   'Al2 C4'
_cell_volume   63.26
_cell_formula_units_Z   2
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  0.75  0.99  1.0
  Al  Al1  1  0.52  0.88  0.96  1.0
  C  C2  1  0.0  0.0  0.33  1.0
  C  C3  1  0.0  0.0  0.31  1.0
  C  C4  1  0.0  0.0  0.61  1.0
  C  C5  1  0.0  0.0  0.64  1.0

data_AlC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   7.95
_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   'Al2 C4'
_cell_volume   63.26
_cell_formula_units_Z   2
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  0.75  0.99  1.0
  Al  Al1  1  0.52  0.88  0.96  1.0
  C  C2  1  0.0  0.0  0.31  1.0
  C  C3  1  0.0  0.0  0.33  1.0
  C  C4  1  0.0  0.0  0.61  1.0
  C  C5  1  0.0  0.0  0.64  1.0

Al Al C C C C
Al Al C C C C 0 1 - o o 0 1 o o o 2 3 o o o 4 5 o o o 