data_[La12Sm4In4Ir4]
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
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.1008]
_cell_length_b [7.6702]
_cell_length_c [15.5430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3SmInIr]
_chemical_formula_sum '[La12 Sm4 In4 Ir4]'
_cell_volume [727.3241]
_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  8  0.0000  0.2512  0.1212  1
  La  La1  4  0.0000  0.5000  0.3197  1
  Sm  Sm2  4  0.0000  0.1980  0.5000  1
  In  In3  4  0.0000  0.0000  0.3071  1
  Ir  Ir4  4  0.2394  0.0000  0.0000  1
]