data_[Ac12Sn8Ge4]
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 [Pnma]
_cell_length_a [13.4119]
_cell_length_b [4.7300]
_cell_length_c [13.0664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ac3Sn2Ge]
_chemical_formula_sum '[Ac12 Sn8 Ge4]'
_cell_volume [828.9109]
_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  0.0537  0.2500  0.3798  1
  Ac  Ac1  4  0.1160  0.7500  0.9495  1
  Ac  Ac2  4  0.2258  0.2500  0.7079  1
  Sn  Sn3  4  0.0064  0.7500  0.1964  1
  Sn  Sn4  4  0.1927  0.7500  0.4989  1
  Ge  Ge5  4  0.1254  0.2500  0.1317  1
]