data_[Sm12Te4Ir4]
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 [Pnma]
_cell_length_a [7.7730]
_cell_length_b [4.3839]
_cell_length_c [16.8755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm3TeIr]
_chemical_formula_sum '[Sm12 Te4 Ir4]'
_cell_volume [575.0476]
_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  4  0.0136  0.2500  0.5906  1
  Sm  Sm1  4  0.1361  0.7500  0.9471  1
  Sm  Sm2  4  0.1772  0.2500  0.2057  1
  Te  Te3  4  0.1217  0.2500  0.7986  1
  Ir  Ir4  4  0.2404  0.7500  0.5416  1
]