data_Ac3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   136.79
_cell_angle_beta   136.79
_cell_angle_gamma   62.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac3Ir
_chemical_formula_sum   'Ac3 Ir1'
_cell_volume   125.74
_cell_formula_units_Z   1
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  0.38  0.76  1.0
  Ac  Ac1  1  0.38  0.0  0.76  1.0
  Ac  Ac2  1  0.0  0.0  0.53  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0

data_Ac3Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   121.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ac3Ir
_chemical_formula_sum   'Ac6 Ir2'
_cell_volume   251.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.31  0.31  0.38  1.0
  Ac  Ac1  2  0.0  0.0  0.53  1.0
  Ir  Ir2  2  0.0  0.0  0.0  1.0

Ac Ac Ac Ir