data_[Ac2Zn2Ga22]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7780]
_cell_length_b [13.1737]
_cell_length_c [7.2974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcZnGa11]
_chemical_formula_sum '[Ac2 Zn2 Ga22]'
_cell_volume [516.7756]
_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  2  0.0000  0.5000  0.5000  1
  Ga  Ga2  8  0.1072  0.3917  0.2220  1
  Ga  Ga3  8  0.1827  0.1783  0.3615  1
  Ga  Ga4  4  0.2500  0.2500  0.0000  1
  Ga  Ga5  2  0.0000  0.0000  0.5000  1
]