data_[Sm12Ge8Ir12]
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 [Cmcm]
_cell_length_a [4.2094]
_cell_length_b [10.3922]
_cell_length_c [15.3170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm3Ge2Ir3]
_chemical_formula_sum '[Sm12 Ge8 Ir12]'
_cell_volume [670.0338]
_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
[
  Sm  Sm0  8  0.0000  0.0712  0.6077  1
  Sm  Sm1  4  0.0000  0.3587  0.7500  1
  Ge  Ge2  8  0.0000  0.2201  0.1022  1
  Ir  Ir3  8  0.0000  0.3615  0.5348  1
  Ir  Ir4  4  0.0000  0.3396  0.2500  1
]