data_[Ac22Zn8In18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [15.7775]
_cell_length_b [23.7615]
_cell_length_c [4.1184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ac11Zn4In9]
_chemical_formula_sum '[Ac22 Zn8 In18]'
_cell_volume [1543.9608]
_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  8  0.2399  0.1730  0.0000  1
  Ac  Ac1  4  0.0000  0.1626  0.0000  1
  Ac  Ac2  4  0.0000  0.3670  0.0000  1
  Ac  Ac3  4  0.2002  0.5000  0.0000  1
  Ac  Ac4  2  0.0000  0.0000  0.0000  1
  Zn  Zn5  8  0.1495  0.4009  0.5000  1
  In  In6  8  0.1035  0.2635  0.5000  1
  In  In7  8  0.1452  0.0715  0.5000  1
  In  In8  2  0.0000  0.5000  0.5000  1
]