data_[Sm12Tl4Ir2]
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 [P2_1/c]
_cell_length_a [7.1997]
_cell_length_b [7.4920]
_cell_length_c [12.7132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9521]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm6Tl2Ir]
_chemical_formula_sum '[Sm12 Tl4 Ir2]'
_cell_volume [575.4295]
_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  4  0.1450  0.6958  0.9612  1
  Sm  Sm1  4  0.2687  0.1861  0.9608  1
  Sm  Sm2  4  0.3393  0.5072  0.7471  1
  Tl  Tl3  4  0.2151  0.5743  0.2470  1
  Ir  Ir4  2  0.5000  0.0000  0.5000  1
]