data_[Li2Ga8Pd6]
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 [Pmn2_1]
_cell_length_a [9.1225]
_cell_length_b [5.5113]
_cell_length_c [4.8391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiGa4Pd3]
_chemical_formula_sum '[Li2 Ga8 Pd6]'
_cell_volume [243.2975]
_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  2  0.0000  0.5114  0.8108  1.0
  Ga  Ga1  4  0.2498  0.8369  0.5682  1.0
  Ga  Ga2  2  0.0000  0.2710  0.3329  1.0
  Ga  Ga3  2  0.0000  0.7714  0.2881  1.0
  Pd  Pd4  4  0.2486  0.6595  0.0685  1.0
  Pd  Pd5  2  0.0000  0.0103  0.8100  1.0
]