data_[Tl2Pd30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5537]
_cell_length_b [3.8690]
_cell_length_c [33.1779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlPd15]
_chemical_formula_sum '[Tl2 Pd30]'
_cell_volume [712.8916]
_cell_formula_units_Z [2]
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  2  0.1245  0.7500  0.8289  1
  Pd  Pd1  2  0.1237  0.7500  0.3081  1
  Pd  Pd2  2  0.1248  0.7500  0.7356  1
  Pd  Pd3  2  0.1248  0.7500  0.2214  1
  Pd  Pd4  2  0.1248  0.7500  0.3939  1
  Pd  Pd5  2  0.1249  0.7500  0.5637  1
  Pd  Pd6  2  0.1250  0.7500  0.6489  1
  Pd  Pd7  2  0.1253  0.7500  0.4788  1
  Pd  Pd8  2  0.3734  0.2500  0.6919  1
  Pd  Pd9  2  0.3741  0.2500  0.7786  1
  Pd  Pd10  2  0.3747  0.2500  0.6062  1
  Pd  Pd11  2  0.3751  0.2500  0.3514  1
  Pd  Pd12  2  0.3751  0.2500  0.5212  1
  Pd  Pd13  2  0.3751  0.2500  0.4363  1
  Pd  Pd14  2  0.3752  0.2500  0.2662  1
  Pd  Pd15  2  0.3756  0.2500  0.1804  1
]