data_Tl2ZnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnHg
_chemical_formula_sum   'Tl2 Zn1 Hg1'
_cell_volume   107.34
_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  Tl1  1  0.12  0.0  0.21  1.0
  Tl  Tl2  1  0.12  0.0  0.12  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.67  1.0

data_Tl2ZnHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnHg
_chemical_formula_sum   'Tl2 Zn1 Hg1'
_cell_volume   107.34
_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  0.12  0.0  0.12  1.0
  Tl  Tl1  1  0.12  0.0  0.21  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.67  1.0

Tl Tl Zn Hg