data_[Tl2In6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2672]
_cell_length_b [4.5104]
_cell_length_c [9.7311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl(InPd2)3]
_chemical_formula_sum '[Tl2 In6 Pd12]'
_cell_volume [353.9957]
_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  0.0604  0.2500  0.3860  1
  In  In1  2  0.2355  0.2500  0.0167  1
  In  In2  2  0.3506  0.7500  0.8057  1
  In  In3  2  0.4584  0.2500  0.6064  1
  Pd  Pd4  2  0.0650  0.7500  0.9064  1
  Pd  Pd5  2  0.1520  0.7500  0.2033  1
  Pd  Pd6  2  0.1618  0.2500  0.7094  1
  Pd  Pd7  2  0.2600  0.7500  0.5121  1
  Pd  Pd8  2  0.3672  0.2500  0.3038  1
  Pd  Pd9  2  0.4554  0.7500  0.0954  1
]