data_[Sb18Pd36Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3534]
_cell_length_b [12.3534]
_cell_length_c [7.9249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sb6Pd12Pt]
_chemical_formula_sum '[Sb18 Pd36 Pt3]'
_cell_volume [1047.3600]
_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
[
  Sb  Sb0  18  0.0335  0.8496  0.7429  1.0
  Pd  Pd1  18  0.0051  0.2379  0.9407  1.0
  Pd  Pd2  18  0.0577  0.8180  0.4167  1.0
  Pt  Pt3  3  0.0000  0.0000  0.0000  1.0
]