data_[Tl18Ga3Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.9940]
_cell_length_b [11.9940]
_cell_length_c [8.7239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tl6GaPd12]
_chemical_formula_sum '[Tl18 Ga3 Pd36]'
_cell_volume [1086.8464]
_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
[
  Tl  Tl0  18  0.0508  0.2149  0.7342  1.0
  Ga  Ga1  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  18  0.0527  0.2280  0.0830  1.0
  Pd  Pd3  18  0.0580  0.2421  0.4200  1.0
]