data_[La16Tl4Pd2]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1802]
_cell_length_b [5.5504]
_cell_length_c [6.9862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Tl2Pd]
_chemical_formula_sum '[La16 Tl4 Pd2]'
_cell_volume [712.7931]
_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  4  0.0089  0.0000  0.7802  1.0
  La  La1  4  0.0905  0.5000  0.4308  1.0
  La  La2  4  0.1520  0.5000  0.9481  1.0
  La  La3  4  0.2092  0.0000  0.2566  1.0
  Tl  Tl4  4  0.1773  0.0000  0.7038  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]