data_[Tl12Pd10]
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 [C2/m]
_cell_length_a [8.3289]
_cell_length_b [10.8825]
_cell_length_c [5.5236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl6Pd5]
_chemical_formula_sum '[Tl12 Pd10]'
_cell_volume [481.4163]
_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  8  0.2113  0.1563  0.2085  1.0
  Tl  Tl1  4  0.2014  0.0000  0.7077  1.0
  Pd  Pd2  4  0.0000  0.2265  0.5000  1.0
  Pd  Pd3  4  0.0000  0.3656  0.0000  1.0
  Pd  Pd4  2  0.0000  0.5000  0.5000  1.0
]