data_[Li2Zn4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9175]
_cell_length_b [6.3021]
_cell_length_c [6.3213]
_cell_angle_alpha [72.2862]
_cell_angle_beta [70.5338]
_cell_angle_gamma [72.2805]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li(ZnPd2)2]
_chemical_formula_sum '[Li2 Zn4 Pd8]'
_cell_volume [206.2470]
_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
[
  Li  Li0  1  0.1300  0.8793  0.8801  1.0
  Li  Li1  1  0.5358  0.8008  0.0750  1.0
  Zn  Zn2  1  0.2847  0.4549  0.1697  1.0
  Zn  Zn3  1  0.3780  0.2433  0.7967  1.0
  Zn  Zn4  1  0.4409  0.9978  0.4584  1.0
  Zn  Zn5  1  0.6925  0.3736  0.3675  1.0
  Pd  Pd6  1  0.0333  0.2923  0.5957  1.0
  Pd  Pd7  1  0.1192  0.0885  0.2157  1.0
  Pd  Pd8  1  0.2594  0.6545  0.4907  1.0
  Pd  Pd9  1  0.5688  0.5881  0.7548  1.0
  Pd  Pd10  1  0.6990  0.1655  0.0417  1.0
  Pd  Pd11  1  0.7868  0.9579  0.6545  1.0
  Pd  Pd12  1  0.8643  0.7337  0.3081  1.0
  Pd  Pd13  1  0.9573  0.5198  0.9413  1.0
]