data_[Li6Ga9Pd24]
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 [R-3m]
_cell_length_a [5.3031]
_cell_length_b [5.3031]
_cell_length_c [26.4329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2Ga3Pd8]
_chemical_formula_sum '[Li6 Ga9 Pd24]'
_cell_volume [643.7769]
_cell_formula_units_Z [3]
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  0.0000  0.3706  1
  Ga  Ga1  6  0.0000  0.0000  0.1912  1
  Ga  Ga2  3  0.0000  0.0000  0.0000  1
  Pd  Pd3  18  0.0005  0.5003  0.2197  1
  Pd  Pd4  6  0.0000  0.0000  0.2817  1
]