data_[Li3La3Ga6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  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 [4.3096]
_cell_length_b [4.3096]
_cell_length_c [26.2283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiLa(GaPd2)2]
_chemical_formula_sum '[Li3 La3 Ga6 Pd12]'
_cell_volume [421.8706]
_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  3  -0.0000  -0.0000  0.5000  1.0
  La  La1  3  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  6  0.0000  0.0000  0.2342  1.0
  Pd  Pd3  6  0.0000  0.0000  0.1323  1.0
  Pd  Pd4  6  0.0000  0.0000  0.4043  1.0
]