data_[La10Tl2In4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [12.5044]
_cell_length_b [12.5044]
_cell_length_c [3.8589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [La5Tl(InIr)2]
_chemical_formula_sum '[La10 Tl2 In4 Ir4]'
_cell_volume [603.3773]
_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  8  0.0671  0.2137  0.5000  1.0
  La  La1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  In  In3  4  0.1863  0.6863  0.0000  1.0
  Ir  Ir4  4  0.1342  0.3658  0.0000  1.0
]