data_[Ac8Ge10Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ge  2.0100  1.2500  0.7700
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.6321]
_cell_length_b [9.6321]
_cell_length_c [6.4753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Ac4Ge5Mo]
_chemical_formula_sum '[Ac8 Ge10 Mo2]'
_cell_volume [600.7660]
_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  8  0.0853  0.3034  0.4939  1
  Ge  Ge1  8  0.0912  0.2562  0.9957  1
  Ge  Ge2  2  0.0000  0.0000  0.5783  1
  Mo  Mo3  2  0.0000  0.0000  0.9527  1
]