data_[Ti18Ga3Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [12.1806]
_cell_length_b [12.1806]
_cell_length_c [6.8594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ti6GaPd12]
_chemical_formula_sum '[Ti18 Ga3 Pd36]'
_cell_volume [881.3572]
_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
[
  Ti  Ti0  18  0.0226  0.7570  0.3509  1
  Ga  Ga1  3  0.0000  0.0000  0.0000  1
  Pd  Pd2  18  0.0077  0.8693  0.6662  1
  Pd  Pd3  18  0.0660  0.5053  0.6706  1
]