data_[La6Zn6Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3790]
_cell_length_b [9.5611]
_cell_length_c [13.2776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3Zn3Pd8]
_chemical_formula_sum '[La6 Zn6 Pd16]'
_cell_volume [555.9067]
_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  0.0000  0.0000  0.2006  1.0
  La  La1  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  4  0.0000  0.2326  0.0000  1.0
  Zn  Zn3  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd4  8  0.0000  0.2892  0.3894  1.0
  Pd  Pd5  8  0.0000  0.3530  0.1806  1.0
]