data_[Tb9Sm3Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3684]
_cell_length_b [5.3684]
_cell_length_c [26.2841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tb3SmIr8]
_chemical_formula_sum '[Tb9 Sm3 Ir24]'
_cell_volume [656.0220]
_cell_formula_units_Z [3]
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
[
  Tb  Tb0  3  0.0000  0.0000  0.5002  1
  Tb  Tb1  3  0.0000  0.0000  0.6251  1
  Tb  Tb2  3  0.0000  0.0000  0.9998  1
  Sm  Sm3  3  0.0000  0.0000  0.1249  1
  Ir  Ir4  9  0.0005  0.5002  0.5629  1
  Ir  Ir5  9  0.1668  0.3336  0.3954  1
  Ir  Ir6  3  0.0000  0.0000  0.3125  1
  Ir  Ir7  3  0.0000  0.0000  0.8126  1
]