data_[Tl6Hg2Pd1Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5305]
_cell_length_b [7.0160]
_cell_length_c [7.0282]
_cell_angle_alpha [90.7013]
_cell_angle_beta [105.4913]
_cell_angle_gamma [111.2857]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl6Hg2PdSe]
_chemical_formula_sum '[Tl6 Hg2 Pd1 Se1]'
_cell_volume [287.0032]
_cell_formula_units_Z [1]
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  0.4567  0.9526  0.7568  1.0
  Tl  Tl1  1  0.5074  0.2383  0.3574  1.0
  Tl  Tl2  1  0.8924  0.5800  0.7495  1.0
  Tl  Tl3  1  0.9261  0.7271  0.2634  1.0
  Tl  Tl4  1  0.9374  0.2362  0.1300  1.0
  Tl  Tl5  1  0.9459  0.0935  0.6059  1.0
  Hg  Hg6  1  0.4215  0.7545  0.1794  1.0
  Hg  Hg7  1  0.4430  0.4032  0.9356  1.0
  Pd  Pd8  1  0.1569  0.9875  0.9905  1.0
  Se  Se9  1  0.3107  0.5261  0.5352  1.0
]