data_[La36Ag18Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.6195]
_cell_length_b [11.6195]
_cell_length_c [14.1094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La12Ag6Pd]
_chemical_formula_sum '[La36 Ag18 Pd3]'
_cell_volume [1649.7265]
_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  18  0.0380  0.1913  0.8293  1
  La  La1  18  0.0559  0.8441  0.3970  1
  Ag  Ag2  18  0.0372  0.4415  0.7083  1
  Pd  Pd3  3  0.0000  0.0000  0.0000  1
]