data_[Ac12Sn12Ir4]
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 [C2/m]
_cell_length_a [12.1094]
_cell_length_b [4.7617]
_cell_length_c [16.0680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3Sn3Ir]
_chemical_formula_sum '[Ac12 Sn12 Ir4]'
_cell_volume [874.7292]
_cell_formula_units_Z [4]
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  4  0.0207  0.5000  0.3851  1
  Ac  Ac1  4  0.1025  0.5000  0.9191  1
  Ac  Ac2  4  0.2464  0.5000  0.2440  1
  Sn  Sn3  4  0.0388  0.0000  0.2394  1
  Sn  Sn4  4  0.1149  0.0000  0.0760  1
  Sn  Sn5  4  0.1651  0.0000  0.5330  1
  Ir  Ir6  4  0.2475  0.0000  0.3836  1
]