data_[Tl4Ag8Pd12]
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 [Cmmm]
_cell_length_a [4.3455]
_cell_length_b [13.0306]
_cell_length_c [7.3944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [TlAg2Pd3]
_chemical_formula_sum '[Tl4 Ag8 Pd12]'
_cell_volume [418.7094]
_cell_formula_units_Z [4]
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  0.0000  0.3425  0.0000  1.0
  Ag  Ag1  4  0.0000  0.3325  0.5000  1.0
  Ag  Ag2  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag3  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  8  0.0000  0.1682  0.2494  1.0
  Pd  Pd5  4  0.0000  0.5000  0.2592  1.0
]