data_[Ac12Zn4Ru12]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4053]
_cell_length_b [11.1852]
_cell_length_c [14.0469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac3ZnRu3]
_chemical_formula_sum '[Ac12 Zn4 Ru12]'
_cell_volume [692.1558]
_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  8  0.0000  0.2037  0.6040  1
  Ac  Ac1  4  0.0000  0.4868  0.7500  1
  Zn  Zn2  4  0.0000  0.5000  0.0000  1
  Ru  Ru3  8  0.0000  0.0818  0.0899  1
  Ru  Ru4  4  0.0000  0.2087  0.2500  1
]