data_[Ac12Ge4Sb6I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.6028]
_cell_length_b [4.7187]
_cell_length_c [9.5306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Ge2Sb3I]
_chemical_formula_sum '[Ac12 Ge4 Sb6 I2]'
_cell_volume [903.2260]
_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  4  0.0083  0.0000  0.2699  1
  Ac  Ac1  4  0.1708  0.5000  0.5761  1
  Ac  Ac2  4  0.1745  0.5000  0.1008  1
  Ge  Ge3  4  0.1655  0.0000  0.3302  1
  Sb  Sb4  4  0.1592  0.0000  0.8351  1
  Sb  Sb5  2  0.0000  0.5000  0.5000  1
  I  I6  2  0.0000  0.5000  0.0000  1
]