data_[Ga3Pd36Pb18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.7528]
_cell_length_b [11.7528]
_cell_length_c [9.4728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ga(Pd2Pb)6]
_chemical_formula_sum '[Ga3 Pd36 Pb18]'
_cell_volume [1133.1565]
_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
[
  Ga  Ga0  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd1  18  0.0528  0.8342  0.1007  1.0
  Pd  Pd2  18  0.0577  0.8219  0.4199  1.0
  Pb  Pb3  18  0.0561  0.8264  0.7194  1.0
]