data_[Sm20Tl4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5601]
_cell_length_b [7.7180]
_cell_length_c [11.8669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm5TlIr]
_chemical_formula_sum '[Sm20 Tl4 Ir4]'
_cell_volume [842.1417]
_cell_formula_units_Z [4]
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  8  0.1180  0.3322  0.0558  1
  Sm  Sm1  8  0.2498  0.1732  0.6267  1
  Sm  Sm2  4  0.0000  0.0075  0.7500  1
  Tl  Tl3  4  0.0000  0.4133  0.7500  1
  Ir  Ir4  4  0.0000  0.0000  0.0000  1
]