data_[Li8Tm4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [5.7484]
_cell_length_b [12.1660]
_cell_length_c [6.5208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Li2TmPd4]
_chemical_formula_sum '[Li8 Tm4 Pd16]'
_cell_volume [456.0356]
_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
[
  Li  Li0  4  0.2500  0.5007  0.3414  1
  Li  Li1  4  0.2500  0.6891  0.0376  1
  Tm  Tm2  4  0.2500  0.1378  0.2382  1
  Pd  Pd3  8  0.0066  0.1760  0.8454  1
  Pd  Pd4  4  0.0000  0.0000  0.5120  1
  Pd  Pd5  4  0.2500  0.6102  0.6883  1
]