data_[Sm16Ir4Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0592]
_cell_length_b [13.4172]
_cell_length_c [6.2628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6049]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm4IrRu]
_chemical_formula_sum '[Sm16 Ir4 Ru4]'
_cell_volume [634.0198]
_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  0.1350  0.1775  0.6036  1.0
  Sm  Sm1  8  0.1912  0.4348  0.7598  1.0
  Ir  Ir2  4  0.0000  0.0012  0.2500  1.0
  Ru  Ru3  4  0.0000  0.3638  0.2500  1.0
]