data_[Tl4Sn2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7297]
_cell_length_b [7.5573]
_cell_length_c [7.6909]
_cell_angle_alpha [113.8984]
_cell_angle_beta [110.3159]
_cell_angle_gamma [97.9276]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2SnPd4]
_chemical_formula_sum '[Tl4 Sn2 Pd8]'
_cell_volume [270.0404]
_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  1  0.2599  0.4964  0.9529  1.0
  Tl  Tl1  1  0.6195  0.4010  0.6369  1.0
  Tl  Tl2  1  0.6877  0.2699  0.1250  1.0
  Tl  Tl3  1  0.7527  0.9732  0.3505  1.0
  Sn  Sn4  1  0.0171  0.8959  0.9357  1.0
  Sn  Sn5  1  0.2851  0.7223  0.4703  1.0
  Pd  Pd6  1  0.0851  0.3949  0.5306  1.0
  Pd  Pd7  1  0.2146  0.0651  0.7358  1.0
  Pd  Pd8  1  0.2376  0.3272  0.2001  1.0
  Pd  Pd9  1  0.2599  0.0210  0.3514  1.0
  Pd  Pd10  1  0.4705  0.8100  0.8898  1.0
  Pd  Pd11  1  0.7265  0.0818  0.7453  1.0
  Pd  Pd12  1  0.7783  0.6621  0.4895  1.0
  Pd  Pd13  1  0.8555  0.6293  0.0862  1.0
]