data_[Ac12Sn2Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.8585]
_cell_length_b [4.6770]
_cell_length_c [13.3190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac6SnGe3]
_chemical_formula_sum '[Ac12 Sn2 Ge6]'
_cell_volume [760.4925]
_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  0.0797  0.7500  0.9062  1
  Ac  Ac1  2  0.1194  0.2500  0.4603  1
  Ac  Ac2  2  0.2020  0.7500  0.2470  1
  Ac  Ac3  2  0.2725  0.7500  0.7304  1
  Ac  Ac4  2  0.3899  0.2500  0.0523  1
  Ac  Ac5  2  0.4728  0.2500  0.6074  1
  Sn  Sn6  2  0.0555  0.2500  0.6992  1
  Ge  Ge7  2  0.1583  0.2500  0.0835  1
  Ge  Ge8  2  0.3097  0.7500  0.5014  1
  Ge  Ge9  2  0.4532  0.2500  0.8324  1
]