data_[Sm16Ge24Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.3067]
_cell_length_b [8.5178]
_cell_length_c [14.6979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sm2Ge3Ir]
_chemical_formula_sum '[Sm16 Ge24 Ir8]'
_cell_volume [1039.9518]
_cell_formula_units_Z [8]
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
[
  Sm  Sm0  8  0.2453  0.0000  0.5000  1
  Sm  Sm1  8  0.2500  0.2500  0.2500  1
  Ge  Ge2  16  0.0000  0.2485  0.4154  1
  Ge  Ge3  8  0.0000  0.0000  0.1694  1
  Ir  Ir4  8  0.0000  0.0000  0.3343  1
]