data_[Sm46Cd8Ir14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.9272]
_cell_length_b [9.9272]
_cell_length_c [22.3146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Sm23Cd4Ir7]
_chemical_formula_sum '[Sm46 Cd8 Ir14]'
_cell_volume [1904.4769]
_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  6  0.0782  0.5391  0.5854  1
  Sm  Sm1  6  0.0810  0.5405  0.8559  1
  Sm  Sm2  6  0.1276  0.2553  0.1360  1
  Sm  Sm3  6  0.2027  0.4054  0.2824  1
  Sm  Sm4  6  0.2070  0.4140  0.7205  1
  Sm  Sm5  6  0.2070  0.4141  0.4469  1
  Sm  Sm6  6  0.2088  0.4176  0.9899  1
  Sm  Sm7  2  0.0000  0.0000  0.4980  1
  Sm  Sm8  2  0.3333  0.6667  0.1450  1
  Cd  Cd9  6  0.1073  0.2145  0.8634  1
  Cd  Cd10  2  0.0000  0.0000  0.2501  1
  Ir  Ir11  6  0.0415  0.5207  0.2095  1
  Ir  Ir12  6  0.1438  0.2876  0.5633  1
  Ir  Ir13  2  0.3333  0.6667  0.3635  1
]