data_TlZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   8.3
_cell_length_c   4.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2
_chemical_formula_sum   'Tl2 Zn4'
_cell_volume   127.6
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.8  0.15  0.14  1.0
  Zn  Zn2  1  0.5  0.81  0.0  1.0
  Zn  Zn3  1  0.09  0.49  0.0  1.0
  Zn  Zn4  1  0.71  0.34  0.14  1.0
  Zn  Zn5  1  0.89  0.97  0.14  1.0

data_TlZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.28
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2
_chemical_formula_sum   'Tl2 Zn4'
_cell_volume   127.6
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.2  0.86  0.85  1.0
  Zn  Zn2  1  0.11  0.86  0.03  1.0
  Zn  Zn3  1  0.29  0.86  0.66  1.0
  Zn  Zn4  1  0.5  0.0  0.19  1.0
  Zn  Zn5  1  0.91  -0.0  0.51  1.0

Tl Tl Zn Zn Zn Zn
Tl Tl Zn Zn Zn Zn 0 5 - - o 0 1 - o o 0 2 o - o 0 2 - - o 1 4 o o o 1 5 o - o 2 5 o o o 3 4 - o o 