data_[Sm20Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.3996]
_cell_length_b [6.6093]
_cell_length_c [7.2771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm5Ir2]
_chemical_formula_sum '[Sm20 Ir8]'
_cell_volume [782.9792]
_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  0.0923  0.1147  0.4196  1.0
  Sm  Sm1  8  0.2186  0.4334  0.8163  1.0
  Sm  Sm2  4  0.0000  0.4323  0.7500  1.0
  Ir  Ir3  8  0.1112  0.2881  0.0731  1.0
]