data_[La4Al2Tl2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9346]
_cell_length_b [4.4354]
_cell_length_c [8.0225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2AlTlIr]
_chemical_formula_sum '[La4 Al2 Tl2 Ir2]'
_cell_volume [266.1396]
_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  0.1142  0.2500  0.3326  1.0
  La  La1  2  0.2843  0.2500  0.9681  1.0
  Al  Al2  2  0.4397  0.7500  0.3406  1.0
  Tl  Tl3  2  0.3253  0.7500  0.6625  1.0
  Ir  Ir4  2  0.1323  0.7500  0.1047  1.0
]