data_[Sm64Sn16Ir16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [13.9698]
_cell_length_b [13.9698]
_cell_length_c [13.9698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Sm4SnIr]
_chemical_formula_sum '[Sm64 Sn16 Ir16]'
_cell_volume [2726.2537]
_cell_formula_units_Z [16]
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  24  0.0000  0.0000  0.1921  1
  Sm  Sm1  24  0.0563  0.2500  0.2500  1
  Sm  Sm2  16  0.1504  0.1504  0.6504  1
  Sn  Sn3  16  0.0880  0.0880  0.4120  1
  Ir  Ir4  16  0.1416  0.1416  0.8584  1
]