data_[La12Sm8Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.2090]
_cell_length_b [5.6976]
_cell_length_c [14.0305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7499]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La3Sm2Ir3]
_chemical_formula_sum '[La12 Sm8 Ir12]'
_cell_volume [1055.8379]
_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
[
  La  La0  2  0.0496  0.0000  0.6170  1
  La  La1  2  0.0511  0.0000  0.8824  1
  La  La2  2  0.1644  0.5000  0.4273  1
  La  La3  2  0.2496  0.5000  0.7516  1
  La  La4  2  0.2525  0.0000  0.2505  1
  La  La5  2  0.4520  0.5000  0.1215  1
  Sm  Sm6  2  0.1762  0.5000  0.0631  1
  Sm  Sm7  2  0.3238  0.0000  0.5660  1
  Sm  Sm8  2  0.3258  0.0000  0.9340  1
  Sm  Sm9  2  0.4399  0.5000  0.3863  1
  Ir  Ir10  2  0.1467  0.0000  0.4385  1
  Ir  Ir11  2  0.1513  0.0000  0.0589  1
  Ir  Ir12  2  0.2122  0.0000  0.7501  1
  Ir  Ir13  2  0.2861  0.5000  0.2458  1
  Ir  Ir14  2  0.3465  0.5000  0.5611  1
  Ir  Ir15  2  0.3522  0.5000  0.9416  1
]