data_[Ac4Sn6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.8937]
_cell_length_b [4.8511]
_cell_length_c [7.8388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.5703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ac2Sn3Ir]
_chemical_formula_sum '[Ac4 Sn6 Ir2]'
_cell_volume [343.5563]
_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  2  0.0536  0.5000  0.2946  1
  Ac  Ac1  2  0.4252  0.0000  0.6898  1
  Sn  Sn2  2  0.1762  0.0000  0.0740  1
  Sn  Sn3  2  0.2964  0.5000  0.8770  1
  Sn  Sn4  2  0.3777  0.5000  0.3524  1
  Ir  Ir5  2  0.1709  0.0000  0.7123  1
]