data_[Ac12Zn2In6]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.0814]
_cell_length_b [5.7619]
_cell_length_c [12.8680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac6ZnIn3]
_chemical_formula_sum '[Ac12 Zn2 In6]'
_cell_volume [710.2810]
_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  0.1052  0.7500  0.8713  1
  Ac  Ac1  2  0.1312  0.7500  0.1520  1
  Ac  Ac2  2  0.1450  0.2500  0.6709  1
  Ac  Ac3  2  0.2438  0.7500  0.4996  1
  Ac  Ac4  2  0.3383  0.2500  0.3306  1
  Ac  Ac5  2  0.4786  0.7500  0.0927  1
  Zn  Zn6  2  0.0409  0.2500  0.3979  1
  In  In7  2  0.2282  0.2500  0.0324  1
  In  In8  2  0.3797  0.7500  0.7768  1
  In  In9  2  0.4695  0.2500  0.6213  1
]