data_[Li7Ag2Pd1]
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 [P3m1]
_cell_length_a [4.4145]
_cell_length_b [4.4145]
_cell_length_c [10.0443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Li7Ag2Pd]
_chemical_formula_sum '[Li7 Ag2 Pd1]'
_cell_volume [169.5150]
_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  1  0.0000  0.0000  0.3238  1.0
  Li  Li1  1  0.0000  0.0000  0.7603  1.0
  Li  Li2  1  0.3333  0.6667  0.5505  1.0
  Li  Li3  1  0.3333  0.6667  0.9621  1.0
  Li  Li4  1  0.6667  0.3333  0.1433  1.0
  Li  Li5  1  0.6667  0.3333  0.3977  1.0
  Li  Li6  1  0.6667  0.3333  0.9057  1.0
  Ag  Ag7  1  0.3333  0.6667  0.2358  1.0
  Ag  Ag8  1  0.6667  0.3333  0.6520  1.0
  Pd  Pd9  1  0.0000  0.0000  0.0523  1.0
]