data_[La6Ga9Ni36Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5967]
_cell_length_b [8.5967]
_cell_length_c [12.1732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2Ga3Ni12Pd]
_chemical_formula_sum '[La6 Ga9 Ni36 Pd3]'
_cell_volume [779.1043]
_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  0.3375  1
  Ga  Ga1  9  0.0000  0.5000  0.5000  1
  Ni  Ni2  18  0.0035  0.5018  0.1065  1
  Ni  Ni3  18  0.0069  0.5035  0.7006  1
  Pd  Pd4  3  0.0000  0.0000  0.0000  1
]