data_[Li6Ag1Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [7.3423]
_cell_length_b [7.3423]
_cell_length_c [5.3043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Li6AgPd10]
_chemical_formula_sum '[Li6 Ag1 Pd10]'
_cell_volume [247.6429]
_cell_formula_units_Z [1]
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  6  0.0000  0.3633  0.6886  1
  Ag  Ag1  1  0.0000  0.0000  0.5000  1
  Pd  Pd2  6  0.0000  0.2983  0.1745  1
  Pd  Pd3  2  0.3333  0.6667  0.0000  1
  Pd  Pd4  2  0.3333  0.6667  0.5000  1
]