data_[Sm12Bi2Te6Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3456]
_cell_length_b [4.3070]
_cell_length_c [8.9571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6BiTe3Ir2]
_chemical_formula_sum '[Sm12 Bi2 Te6 Ir4]'
_cell_volume [717.9718]
_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  0.0189  0.0000  0.2606  1
  Sm  Sm1  4  0.1724  0.5000  0.1260  1
  Sm  Sm2  4  0.1774  0.5000  0.5646  1
  Bi  Bi3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.1590  0.0000  0.8392  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
  Ir  Ir6  4  0.1704  0.0000  0.3406  1
]