data_[Hf2Tl2Pd2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [P2_1/m]
_cell_length_a [8.6044]
_cell_length_b [3.7018]
_cell_length_c [9.3454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfTlPdS3]
_chemical_formula_sum '[Hf2 Tl2 Pd2 S6]'
_cell_volume [279.2235]
_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
[
  Hf  Hf0  2  0.3201  0.7500  0.8408  1.0
  Tl  Tl1  2  0.2106  0.2500  0.2444  1.0
  Pd  Pd2  2  0.1083  0.2500  0.5938  1.0
  S  S3  2  0.1281  0.2500  0.8701  1.0
  S  S4  2  0.2554  0.7500  0.5532  1.0
  S  S5  2  0.4606  0.7500  0.1385  1.0
]