data_[La4Tl16Pd4]
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 [Cmcm]
_cell_length_a [4.8467]
_cell_length_b [17.7090]
_cell_length_c [7.4766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaTl4Pd]
_chemical_formula_sum '[La4 Tl16 Pd4]'
_cell_volume [641.7180]
_cell_formula_units_Z [4]
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  0.1295  0.7500  1.0
  Tl  Tl1  8  0.0000  0.3170  0.5417  1.0
  Tl  Tl2  4  0.0000  0.0624  0.2500  1.0
  Tl  Tl3  4  0.0000  0.5000  0.0000  1.0
  Pd  Pd4  4  0.0000  0.2171  0.2500  1.0
]