data_[Tl2Zn1Sn1Hg6]
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
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2109]
_cell_length_b [6.4179]
_cell_length_c [6.9129]
_cell_angle_alpha [80.2054]
_cell_angle_beta [89.2695]
_cell_angle_gamma [86.2757]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2ZnSnHg6]
_chemical_formula_sum '[Tl2 Zn1 Sn1 Hg6]'
_cell_volume [270.9671]
_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  0.2515  0.4173  0.1054  1.0
  Zn  Zn1  1  0.5000  0.5000  0.5000  1.0
  Sn  Sn2  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  2  0.1167  0.2851  0.5980  1.0
  Hg  Hg4  2  0.2445  0.7884  0.6839  1.0
  Hg  Hg5  2  0.4177  0.8865  0.2284  1.0
]