data_[Sm8Ge8Ir4]
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 [C2/m]
_cell_length_a [10.7823]
_cell_length_b [4.3478]
_cell_length_c [10.5383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Ge2Ir]
_chemical_formula_sum '[Sm8 Ge8 Ir4]'
_cell_volume [440.0814]
_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  4  0.0083  0.0000  0.3307  1.0
  Sm  Sm1  4  0.1908  0.0000  0.1183  1.0
  Ge  Ge2  4  0.0161  0.5000  0.8832  1.0
  Ge  Ge3  4  0.1519  0.5000  0.5524  1.0
  Ir  Ir4  4  0.2281  0.5000  0.3355  1.0
]