data_[La8In4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3809]
_cell_length_b [5.7815]
_cell_length_c [8.3361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2InIr2]
_chemical_formula_sum '[La8 In4 Ir8]'
_cell_volume [482.3946]
_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  0.1444  0.3372  0.1473  1.0
  In  In1  4  0.0000  0.1532  0.7500  1.0
  Ir  Ir2  8  0.1415  0.1434  0.5051  1.0
]