data_[Ac4Al5Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3190]
_cell_length_b [4.9371]
_cell_length_c [8.5411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4Al5Zn2]
_chemical_formula_sum '[Ac4 Al5 Zn2]'
_cell_volume [307.8464]
_cell_formula_units_Z [1]
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  0.2134  0.5000  0.1437  1
  Ac  Ac1  2  0.2752  0.5000  0.6380  1
  Al  Al2  2  0.1336  0.0000  0.8902  1
  Al  Al3  2  0.4060  0.0000  0.3612  1
  Al  Al4  1  0.5000  0.0000  0.0000  1
  Zn  Zn5  2  0.0579  0.0000  0.3699  1
]