data_[Ac2Mg18Zn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7661]
_cell_length_b [14.1583]
_cell_length_c [7.5823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac(Mg3Zn)3]
_chemical_formula_sum '[Ac2 Mg18 Zn6]'
_cell_volume [576.2880]
_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  0.0000  0.0000  0.0000  1
  Mg  Mg1  8  0.1001  0.3882  0.2144  1
  Mg  Mg2  8  0.1722  0.1789  0.3443  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  Zn  Zn4  4  0.2500  0.2500  0.0000  1
  Zn  Zn5  2  0.0000  0.5000  0.5000  1
]