data_[Sm6Zn18Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2876]
_cell_length_b [9.0254]
_cell_length_c [13.1278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm3Zn9Ir2]
_chemical_formula_sum '[Sm6 Zn18 Ir4]'
_cell_volume [508.0075]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.3107  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  8  0.0000  0.2807  0.1258  1.0
  Zn  Zn3  8  0.0000  0.3583  0.3318  1.0
  Zn  Zn4  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir5  4  0.0000  0.2014  0.5000  1.0
]