data_[Sr8Ge20Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.2873]
_cell_length_b [12.4013]
_cell_length_c [6.1084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Sr2Ge5Ir3]
_chemical_formula_sum '[Sr8 Ge20 Ir12]'
_cell_volume [779.2901]
_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
[
  Sr  Sr0  8  0.2323  0.3664  0.0000  1.0
  Ge  Ge1  8  0.0000  0.2236  0.2500  1.0
  Ge  Ge2  8  0.1605  0.0989  0.0000  1.0
  Ge  Ge3  4  0.0000  0.5000  0.2500  1.0
  Ir  Ir4  8  0.1053  0.3604  0.5000  1.0
  Ir  Ir5  4  0.0000  0.0000  0.2500  1.0
]