data_[Sm8Sn8Ir4]
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 [C2/m]
_cell_length_a [11.1974]
_cell_length_b [4.5525]
_cell_length_c [11.1465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Sn2Ir]
_chemical_formula_sum '[Sm8 Sn8 Ir4]'
_cell_volume [509.6886]
_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  0.0019  0.0000  0.6708  1.0
  Sm  Sm1  4  0.1886  0.0000  0.1284  1.0
  Sn  Sn2  4  0.0268  0.5000  0.8823  1.0
  Sn  Sn3  4  0.1567  0.5000  0.5477  1.0
  Ir  Ir4  4  0.2240  0.5000  0.3269  1.0
]