data_[Ho36Tl18Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.2558]
_cell_length_b [13.2558]
_cell_length_c [12.3017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ho12Tl6Pd]
_chemical_formula_sum '[Ho36 Tl18 Pd3]'
_cell_volume [1871.9927]
_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
[
  Ho  Ho0  18  0.0365  0.8277  0.3945  1
  Ho  Ho1  18  0.0504  0.8507  0.8853  1
  Tl  Tl2  18  0.0508  0.7778  0.6462  1
  Pd  Pd3  3  0.0000  0.0000  0.0000  1
]