data_[Tl4Ag6Pd8]
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 [8.6161]
_cell_length_b [4.3111]
_cell_length_c [8.8240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Ag3Pd4]
_chemical_formula_sum '[Tl4 Ag6 Pd8]'
_cell_volume [322.3131]
_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  0.1680  0.5000  0.2180  1.0
  Ag  Ag1  4  0.1617  0.5000  0.5522  1.0
  Ag  Ag2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  4  0.0002  0.0000  0.3306  1.0
  Pd  Pd4  4  0.1671  0.5000  0.8886  1.0
]