data_[Li8Ga12Pd16]
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 [Cmce]
_cell_length_a [5.5911]
_cell_length_b [14.2687]
_cell_length_c [7.4574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li2Ga3Pd4]
_chemical_formula_sum '[Li8 Ga12 Pd16]'
_cell_volume [594.9417]
_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  8  0.0000  0.1026  0.5781  1.0
  Ga  Ga1  8  0.2500  0.2357  0.2500  1.0
  Ga  Ga2  4  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  8  0.0000  0.1781  0.9810  1.0
  Pd  Pd4  8  0.2500  0.0600  0.2500  1.0
]