data_[Tl2Ge4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5226]
_cell_length_b [11.1373]
_cell_length_c [4.5983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl(GePd4)2]
_chemical_formula_sum '[Tl2 Ge4 Pd16]'
_cell_volume [367.0838]
_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  0.5000  1.0
  Ge  Ge1  4  0.0000  0.3192  0.0000  1.0
  Pd  Pd2  8  0.1991  0.1262  0.0944  1.0
  Pd  Pd3  4  0.0000  0.2427  0.5000  1.0
  Pd  Pd4  4  0.1120  0.5000  0.3187  1.0
]