data_[Sm8In4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3029]
_cell_length_b [5.5994]
_cell_length_c [8.2418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm2InIr2]
_chemical_formula_sum '[Sm8 In4 Ir8]'
_cell_volume [456.4493]
_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  0.1449  0.3410  0.1477  1.0
  In  In1  4  0.0000  0.1532  0.7500  1.0
  Ir  Ir2  8  0.1419  0.1504  0.5091  1.0
]