data_[Tl4Pd10S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.4004]
_cell_length_b [8.8019]
_cell_length_c [5.6311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tl2Pd5S]
_chemical_formula_sum '[Tl4 Pd10 S2]'
_cell_volume [299.9782]
_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  2  0.0000  0.2715  0.0000  1.0
  Tl  Tl1  2  0.0000  0.7352  0.0000  1.0
  Pd  Pd2  4  0.1715  0.5121  0.4478  1.0
  Pd  Pd3  4  0.2149  0.0018  0.0025  1.0
  Pd  Pd4  2  0.0000  0.2310  0.5000  1.0
  S  S5  2  0.0000  0.9546  0.5000  1.0
]