data_[Sm8Cd4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2661]
_cell_length_b [5.5372]
_cell_length_c [8.4112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm2CdIr2]
_chemical_formula_sum '[Sm8 Cd4 Ir8]'
_cell_volume [454.5937]
_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  0.1451  0.3396  0.1468  1.0
  Cd  Cd1  4  0.0000  0.1556  0.7500  1.0
  Ir  Ir2  8  0.1429  0.1587  0.5175  1.0
]