data_[Sm3Tm9Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3565]
_cell_length_b [5.3565]
_cell_length_c [26.1951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SmTm3Ir8]
_chemical_formula_sum '[Sm3 Tm9 Ir24]'
_cell_volume [650.8883]
_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
[
  Sm  Sm0  3  0.0000  0.0000  0.8752  1.0
  Tm  Tm1  3  0.0000  0.0000  0.0006  1.0
  Tm  Tm2  3  0.0000  0.0000  0.3747  1.0
  Tm  Tm3  3  0.0000  0.0000  0.4993  1.0
  Ir  Ir4  9  0.0005  0.5003  0.9383  1.0
  Ir  Ir5  9  0.1671  0.3343  0.7701  1.0
  Ir  Ir6  3  0.0000  0.0000  0.1874  1.0
  Ir  Ir7  3  0.0000  0.0000  0.6876  1.0
]