data_[Tl10In6Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1122]
_cell_length_b [9.6758]
_cell_length_c [10.3404]
_cell_angle_alpha [80.2496]
_cell_angle_beta [78.8275]
_cell_angle_gamma [76.1888]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl5In3Hg2]
_chemical_formula_sum '[Tl10 In6 Hg4]'
_cell_volume [577.7198]
_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  0.1536  0.2177  0.3751  1
  Tl  Tl1  2  0.2349  0.4461  0.0752  1
  Tl  Tl2  2  0.2544  0.5461  0.4341  1
  Tl  Tl3  2  0.3194  0.6475  0.7610  1
  Tl  Tl4  2  0.3956  0.8596  0.4558  1
  In  In5  2  0.0398  0.1520  0.0337  1
  In  In6  2  0.1808  0.3335  0.7431  1
  In  In7  2  0.4686  0.9513  0.8562  1
  Hg  Hg8  2  0.0590  0.0519  0.6897  1
  Hg  Hg9  2  0.3690  0.7492  0.1365  1
]