data_[Sr12Ge8Ir4]
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 [P2_1/c]
_cell_length_a [7.8329]
_cell_length_b [9.8758]
_cell_length_c [9.5531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr3Ge2Ir]
_chemical_formula_sum '[Sr12 Ge8 Ir4]'
_cell_volume [725.5542]
_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  4  0.2126  0.1173  0.8983  1
  Sr  Sr1  4  0.2218  0.0162  0.2949  1
  Sr  Sr2  4  0.3285  0.6715  0.1555  1
  Ge  Ge3  4  0.0809  0.6934  0.3981  1
  Ge  Ge4  4  0.3927  0.1479  0.6151  1
  Ir  Ir5  4  0.0740  0.1069  0.5590  1
]