data_AcAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcAg3
_chemical_formula_sum   'Ac2 Ag6'
_cell_volume   181.91
_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  0.75  0.24  1.0
  Ac  Ac1  1  0.25  0.87  0.73  1.0
  Ag  Ag2  1  0.0  0.64  0.73  1.0
  Ag  Ag3  1  0.82  0.8  0.73  1.0
  Ag  Ag4  1  0.18  0.8  0.73  1.0
  Ag  Ag5  1  0.25  0.98  0.24  1.0
  Ag  Ag6  1  0.42  0.82  0.24  1.0
  Ag  Ag7  1  0.07  0.82  0.24  1.0

data_AcAg3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.98
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AcAg3
_chemical_formula_sum   'Ac2 Ag6'
_cell_volume   181.91
_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  0.24  0.12  0.56  1.0
  Ag  Ag1  2  0.24  0.05  0.49  1.0
  Ag  Ag2  2  0.24  0.7  0.49  1.0
  Ag  Ag3  2  0.24  0.88  0.33  1.0

Ac Ac Ag Ag Ag Ag Ag Ag
Ac Ac Ag Ag Ag Ag Ag Ag 0 7 o o o 1 4 o o o 2 4 o o o 2 3 - o o 5 7 o o o 5 6 o o o 