data_[Li12Ga12Pd4]
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 [C2/m]
_cell_length_a [7.6100]
_cell_length_b [8.9171]
_cell_length_c [7.2146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Ga3Pd]
_chemical_formula_sum '[Li12 Ga12 Pd4]'
_cell_volume [488.7463]
_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  4  0.0000  0.1330  0.5000  1
  Li  Li1  4  0.0000  0.2633  0.0000  1
  Li  Li2  4  0.0302  0.5000  0.6975  1
  Ga  Ga3  8  0.2379  0.2459  0.3083  1
  Ga  Ga4  4  0.2090  0.0000  0.8530  1
  Pd  Pd5  4  0.1275  0.0000  0.1837  1
]