data_[Ce8Sm6Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6732]
_cell_length_b [7.5734]
_cell_length_c [15.5198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce4Sm3Ir4]
_chemical_formula_sum '[Ce8 Sm6 Ir8]'
_cell_volume [549.2801]
_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
[
  Ce  Ce0  8  0.0000  0.2173  0.3355  1.0
  Sm  Sm1  4  0.0000  0.0000  0.0993  1.0
  Sm  Sm2  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir3  4  0.0000  0.3102  0.5000  1.0
  Ir  Ir4  4  0.0000  0.5000  0.2035  1.0
]