data_[Ac12Mg4Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1902]
_cell_length_b [4.6686]
_cell_length_c [15.0390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3MgGe3]
_chemical_formula_sum '[Ac12 Mg4 Ge12]'
_cell_volume [809.6082]
_cell_formula_units_Z [4]
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  0.0184  0.5000  0.3774  1
  Ac  Ac1  4  0.1018  0.5000  0.9215  1
  Ac  Ac2  4  0.2415  0.5000  0.2231  1
  Mg  Mg3  4  0.2363  0.0000  0.4089  1
  Ge  Ge4  4  0.0357  0.0000  0.2287  1
  Ge  Ge5  4  0.1086  0.0000  0.0770  1
  Ge  Ge6  4  0.1378  0.0000  0.5522  1
]