data_[Ac2Zn22Cr2]
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
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2595]
_cell_length_b [12.9717]
_cell_length_c [6.9983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcZn11Cr]
_chemical_formula_sum '[Ac2 Zn22 Cr2]'
_cell_volume [443.6373]
_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
  Zn  Zn1  8  0.1148  0.3829  0.2321  1
  Zn  Zn2  8  0.1979  0.1765  0.3608  1
  Zn  Zn3  4  0.2500  0.2500  0.0000  1
  Zn  Zn4  2  0.0000  0.0000  0.5000  1
  Cr  Cr5  2  0.0000  0.5000  0.5000  1
]