data_[Ac10Ge10Ir4]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0956]
_cell_length_b [4.3887]
_cell_length_c [12.0356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.4909]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac5Ge5Ir2]
_chemical_formula_sum '[Ac10 Ge10 Ir4]'
_cell_volume [665.4485]
_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  0.1212  0.5000  0.3219  1
  Ac  Ac1  4  0.1943  0.5000  0.0832  1
  Ac  Ac2  2  0.0000  0.0000  0.5000  1
  Ge  Ge3  4  0.0606  0.0000  0.8144  1
  Ge  Ge4  4  0.2031  0.5000  0.6488  1
  Ge  Ge5  2  0.0000  0.0000  0.0000  1
  Ir  Ir6  4  0.1177  0.5000  0.7684  1
]