data_AcV3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcV3
_chemical_formula_sum   'Ac2 V6'
_cell_volume   169.08
_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  0.74  0.17  1.0
  Ac  Ac1  1  0.24  0.87  0.5  1.0
  V  V2  1  0.0  0.36  0.5  1.0
  V  V3  1  0.06  0.92  0.5  1.0
  V  V4  1  0.94  0.92  0.5  1.0
  V  V5  1  0.24  0.24  0.17  1.0
  V  V6  1  0.18  0.68  0.17  1.0
  V  V7  1  0.29  0.68  0.17  1.0

data_AcV3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.66
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AcV3
_chemical_formula_sum   'Ac2 V6'
_cell_volume   169.08
_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  0.17  0.12  0.57  1.0
  V  V1  2  0.17  0.83  0.62  1.0
  V  V2  2  0.17  0.88  0.06  1.0
  V  V3  2  0.17  0.94  0.62  1.0

Ac Ac V V V V V V