data_[Tl2Zn2Hg2]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3941]
_cell_length_b [5.5670]
_cell_length_c [6.7791]
_cell_angle_alpha [82.7716]
_cell_angle_beta [71.3706]
_cell_angle_gamma [89.5890]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlZnHg]
_chemical_formula_sum '[Tl2 Zn2 Hg2]'
_cell_volume [155.7958]
_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  1  0.5327  0.5248  0.7865  1.0
  Tl  Tl1  1  0.9446  0.0043  0.9393  1.0
  Zn  Zn2  1  0.2854  0.2348  0.2656  1.0
  Zn  Zn3  1  0.8323  0.4827  0.1753  1.0
  Hg  Hg4  1  0.2387  0.7211  0.3630  1.0
  Hg  Hg5  1  0.6400  0.0692  0.5402  1.0
]