data_AcC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcC3
_chemical_formula_sum   'Ac2 C6'
_cell_volume   126.88
_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
  Ac  Ac0  1  0.0  0.02  0.34  1.0
  Ac  Ac1  1  0.61  0.51  0.02  1.0
  C  C2  1  0.0  0.83  0.02  1.0
  C  C3  1  0.9  0.11  0.02  1.0
  C  C4  1  0.1  0.11  0.02  1.0
  C  C5  1  0.61  0.7  0.34  1.0
  C  C6  1  0.72  0.41  0.34  1.0
  C  C7  1  0.51  0.41  0.34  1.0

data_AcC3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AcC3
_chemical_formula_sum   'Ac2 C6'
_cell_volume   126.88
_cell_formula_units_Z   2
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
  Ac  Ac0  2  0.31  0.25  0.84  1.0
  C  C1  2  0.2  0.15  0.16  1.0
  C  C2  2  0.31  0.43  0.16  1.0
  C  C3  2  0.41  0.15  0.16  1.0

Ac Ac C C C C C C