data_[Li4Ta2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5626]
_cell_length_b [6.3009]
_cell_length_c [6.8187]
_cell_angle_alpha [111.0230]
_cell_angle_beta [91.7899]
_cell_angle_gamma [104.3163]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2TaPd4]
_chemical_formula_sum '[Li4 Ta2 Pd8]'
_cell_volume [214.2459]
_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  0.0096  0.3103  0.6000  1.0
  Li  Li1  1  0.1220  0.5936  0.0072  1.0
  Li  Li2  1  0.3929  0.7797  0.7323  1.0
  Li  Li3  1  0.5057  0.3133  0.6030  1.0
  Ta  Ta4  1  0.7799  0.4919  0.2978  1.0
  Ta  Ta5  1  0.9447  0.0209  0.1451  1.0
  Pd  Pd6  1  0.1531  0.8911  0.4343  1.0
  Pd  Pd7  1  0.2339  0.1627  0.8757  1.0
  Pd  Pd8  1  0.2641  0.4574  0.3100  1.0
  Pd  Pd9  1  0.4612  0.0606  0.1867  1.0
  Pd  Pd10  1  0.5989  0.6079  0.0096  1.0
  Pd  Pd11  1  0.6600  0.8949  0.4433  1.0
  Pd  Pd12  1  0.7493  0.1876  0.8877  1.0
  Pd  Pd13  1  0.8746  0.7281  0.7174  1.0
]