data_[Li6Ga4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.2755]
_cell_length_b [11.7518]
_cell_length_c [4.1278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li3(GaPd4)2]
_chemical_formula_sum '[Li6 Ga4 Pd16]'
_cell_volume [401.4395]
_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  4  0.2491  0.0000  0.0000  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  Ga  Ga2  4  0.0000  0.2506  0.5000  1
  Pd  Pd3  8  0.2462  0.3747  0.5000  1
  Pd  Pd4  4  0.0000  0.1285  0.0000  1
  Pd  Pd5  4  0.0000  0.3781  0.0000  1
]