data_[La6Si9Ag3Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.1172]
_cell_length_b [13.1172]
_cell_length_c [9.1430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2Si3AgPd12]
_chemical_formula_sum '[La6 Si9 Ag3 Pd36]'
_cell_volume [1362.4044]
_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
[
  La  La0  6  0.0000  0.0000  0.2984  1
  Si  Si1  9  0.0000  0.5000  0.5000  1
  Ag  Ag2  3  0.0000  0.0000  0.0000  1
  Pd  Pd3  18  0.1006  0.5503  0.7099  1
  Pd  Pd4  18  0.1046  0.2092  0.5749  1
]