data_[Sm16Ag4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [9.6887]
_cell_length_b [9.6887]
_cell_length_c [8.6261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [Sm4AgIr]
_chemical_formula_sum '[Sm16 Ag4 Ir4]'
_cell_volume [809.7421]
_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  0.2953  0.0184  1
  Sm  Sm1  8  0.0000  0.3055  0.4815  1
  Ag  Ag2  4  0.0000  0.0000  0.5018  1
  Ir  Ir3  4  0.0000  0.0000  0.9984  1
]