data_[La9Al2Tl1]
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
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0021]
_cell_length_b [5.0021]
_cell_length_c [15.0156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [La9Al2Tl]
_chemical_formula_sum '[La9 Al2 Tl1]'
_cell_volume [375.6998]
_cell_formula_units_Z [1]
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  4  0.0000  0.5000  0.1727  1
  La  La1  2  0.0000  0.5000  0.5000  1
  La  La2  2  0.5000  0.5000  0.3364  1
  La  La3  1  0.5000  0.5000  0.0000  1
  Al  Al4  2  0.0000  0.0000  0.3349  1
  Tl  Tl5  1  0.0000  0.0000  0.0000  1
]