data_[Ac16Ni2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9361]
_cell_length_b [4.3890]
_cell_length_c [9.4781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac8NiGe2]
_chemical_formula_sum '[Ac16 Ni2 Ge4]'
_cell_volume [820.9436]
_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  0.0070  0.0000  0.2040  1
  Ac  Ac1  4  0.0978  0.5000  0.5465  1
  Ac  Ac2  4  0.1572  0.5000  0.9969  1
  Ac  Ac3  4  0.2153  0.0000  0.3440  1
  Ni  Ni4  2  0.0000  0.5000  0.0000  1
  Ge  Ge5  4  0.1827  0.0000  0.7594  1
]