data_[Sm12Te2Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.9131]
_cell_length_b [4.2115]
_cell_length_c [12.0208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm6TeIr3]
_chemical_formula_sum '[Sm12 Te2 Ir6]'
_cell_volume [574.4529]
_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  2  0.0689  0.7500  0.9031  1
  Sm  Sm1  2  0.1450  0.2500  0.4417  1
  Sm  Sm2  2  0.2528  0.7500  0.2169  1
  Sm  Sm3  2  0.3087  0.7500  0.7322  1
  Sm  Sm4  2  0.3855  0.2500  0.0299  1
  Sm  Sm5  2  0.4630  0.2500  0.5934  1
  Te  Te6  2  0.0729  0.2500  0.6801  1
  Ir  Ir7  2  0.1573  0.2500  0.0668  1
  Ir  Ir8  2  0.3132  0.7500  0.4850  1
  Ir  Ir9  2  0.4794  0.2500  0.8294  1
]