data_AcCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcCd3
_chemical_formula_sum   'Ac2 Cd6'
_cell_volume   204.72
_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  0.93  0.28  1.0
  Ac  Ac1  1  0.4  0.96  0.83  1.0
  Cd  Cd2  1  0.0  0.82  0.83  1.0
  Cd  Cd3  1  0.83  0.98  0.83  1.0
  Cd  Cd4  1  0.17  0.98  0.83  1.0
  Cd  Cd5  1  0.4  0.07  0.28  1.0
  Cd  Cd6  1  0.57  0.91  0.28  1.0
  Cd  Cd7  1  0.23  0.91  0.28  1.0

data_AcCd3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.11
_cell_length_b   6.8
_cell_length_c   6.8
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AcCd3
_chemical_formula_sum   'Ac2 Cd6'
_cell_volume   204.72
_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  0.22  0.8  0.48  1.0
  Cd  Cd1  2  0.22  0.03  0.46  1.0
  Cd  Cd2  2  0.22  0.2  0.63  1.0
  Cd  Cd3  2  0.22  0.37  0.46  1.0

Ac Ac Cd Cd Cd Cd Cd Cd