data_[Tl4Ag10Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9113]
_cell_length_b [4.2350]
_cell_length_c [9.2647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5254]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2(AgPd)5]
_chemical_formula_sum '[Tl4 Ag10 Pd10]'
_cell_volume [425.1880]
_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  4  0.0843  0.0000  0.7465  1.0
  Ag  Ag1  4  0.0931  0.5000  0.2547  1.0
  Ag  Ag2  4  0.1634  0.5000  0.0021  1.0
  Ag  Ag3  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd4  4  0.1670  0.0000  0.4962  1.0
  Pd  Pd5  4  0.2482  0.5000  0.7468  1.0
  Pd  Pd6  2  0.0000  0.0000  0.0000  1.0
]