data_[La6In2Ir2]
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 [P-1]
_cell_length_a [6.1334]
_cell_length_b [6.5673]
_cell_length_c [8.1667]
_cell_angle_alpha [90.9055]
_cell_angle_beta [111.5213]
_cell_angle_gamma [103.3347]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3InIr]
_chemical_formula_sum '[La6 In2 Ir2]'
_cell_volume [295.9336]
_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  0.1897  0.8188  0.5137  1
  La  La1  2  0.2671  0.1276  0.0135  1
  La  La2  2  0.4900  0.6184  0.2919  1
  In  In3  2  0.1188  0.5908  0.8629  1
  Ir  Ir4  2  0.2480  0.2043  0.3479  1
]