data_[Sm8Mg4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2844]
_cell_length_b [5.5575]
_cell_length_c [8.2058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm2MgIr2]
_chemical_formula_sum '[Sm8 Mg4 Ir8]'
_cell_volume [447.9753]
_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  0.1460  0.3477  0.1461  1.0
  Mg  Mg1  4  0.0000  0.1306  0.7500  1.0
  Ir  Ir2  8  0.1396  0.1527  0.5156  1.0
]