data_[La8Tl12Pd16]
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 [Cmce]
_cell_length_a [6.2241]
_cell_length_b [17.8589]
_cell_length_c [7.4351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La2Tl3Pd4]
_chemical_formula_sum '[La8 Tl12 Pd16]'
_cell_volume [826.4572]
_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  8  0.0000  0.1049  0.4196  1
  Tl  Tl1  8  0.2500  0.2377  0.7500  1
  Tl  Tl2  4  0.0000  0.0000  0.0000  1
  Pd  Pd3  8  0.0000  0.1585  0.0262  1
  Pd  Pd4  8  0.2500  0.0761  0.7500  1
]