data_[La2Sm4Ir4]
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 [P2_1/m]
_cell_length_a [5.7664]
_cell_length_b [4.4266]
_cell_length_c [10.7723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(SmIr)2]
_chemical_formula_sum '[La2 Sm4 Ir4]'
_cell_volume [272.0767]
_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
[
  La  La0  2  0.4513  0.2500  0.2111  1.0
  Sm  Sm1  2  0.1124  0.2500  0.8863  1.0
  Sm  Sm2  2  0.2306  0.7500  0.4673  1.0
  Ir  Ir3  2  0.3019  0.2500  0.6363  1.0
  Ir  Ir4  2  0.3411  0.7500  0.0315  1.0
]