data_TlZnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   7.29
_cell_angle_alpha   152.48
_cell_angle_beta   143.81
_cell_angle_gamma   46.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnCl2
_chemical_formula_sum   'Tl1 Zn1 Cl2'
_cell_volume   105.57
_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  Tl2  1  0.74  0.0  0.72  1.0
  Zn  Zn3  1  0.0  0.0  0.9  1.0
  Cl  Cl0  1  0.74  0.0  0.15  1.0
  Cl  Cl1  1  0.0  0.0  0.36  1.0

data_TlZnCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.53
_cell_length_c   7.29
_cell_angle_alpha   108.09
_cell_angle_beta   103.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnCl2
_chemical_formula_sum   'Tl1 Zn1 Cl2'
_cell_volume   105.57
_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  0.0  0.72  0.99  1.0
  Zn  Zn1  1  0.0  0.9  0.9  1.0
  Cl  Cl2  1  0.0  0.15  0.42  1.0
  Cl  Cl3  1  0.0  0.36  0.36  1.0

Tl Zn Cl Cl
Tl Zn Cl Cl 0 1 + o o 2 3 + o o 