data_[Tl2In2Pd12]
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 [I4mm]
_cell_length_a [4.1297]
_cell_length_b [4.1297]
_cell_length_c [15.4915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [TlInPd6]
_chemical_formula_sum '[Tl2 In2 Pd12]'
_cell_volume [264.1935]
_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  0.0000  0.0000  0.8747  1
  In  In1  2  0.0000  0.0000  0.1251  1
  Pd  Pd2  4  0.0000  0.5000  0.0026  1
  Pd  Pd3  4  0.0000  0.5000  0.2476  1
  Pd  Pd4  2  0.0000  0.0000  0.3742  1
  Pd  Pd5  2  0.0000  0.0000  0.6257  1
]