data_[Ac6In2Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.3506]
_cell_length_b [4.7991]
_cell_length_c [20.1081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ac3InGe3]
_chemical_formula_sum '[Ac6 In2 Ge6]'
_cell_volume [419.8403]
_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  0.0000  0.0000  0.0094  1
  Ac  Ac1  2  0.0000  0.5000  0.3134  1
  Ac  Ac2  2  0.0000  0.5000  0.6809  1
  In  In3  2  0.0000  0.0000  0.4331  1
  Ge  Ge4  2  0.0000  0.0000  0.5689  1
  Ge  Ge5  2  0.0000  0.5000  0.1480  1
  Ge  Ge6  2  0.0000  0.5000  0.8462  1
]