data_[Tl2Zn1In1Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  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 [3.3778]
_cell_length_b [8.8626]
_cell_length_c [11.1666]
_cell_angle_alpha [82.3525]
_cell_angle_beta [82.5169]
_cell_angle_gamma [82.5585]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2ZnInHg8]
_chemical_formula_sum '[Tl2 Zn1 In1 Hg8]'
_cell_volume [326.3445]
_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  2  0.0968  0.5257  0.2614  1.0
  Zn  Zn1  1  0.0000  0.0000  0.0000  1.0
  In  In2  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  2  0.2216  0.8111  0.7634  1.0
  Hg  Hg4  2  0.3350  0.3302  0.9978  1.0
  Hg  Hg5  2  0.4227  0.3158  0.5082  1.0
  Hg  Hg6  2  0.4273  0.8792  0.2195  1.0
]