data_TlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   11.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn
_chemical_formula_sum   'Tl4 Zn4'
_cell_volume   242.92
_cell_formula_units_Z   4
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  0.76  1.0
  Tl  Tl1  1  0.0  0.0  0.27  1.0
  Tl  Tl2  1  0.52  0.46  0.27  1.0
  Tl  Tl3  1  0.0  0.91  0.76  1.0
  Zn  Zn4  1  0.52  0.46  0.35  1.0
  Zn  Zn5  1  0.0  0.91  0.87  1.0
  Zn  Zn6  1  0.0  0.91  0.67  1.0
  Zn  Zn7  1  0.52  0.46  0.16  1.0

data_TlZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   11.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn
_chemical_formula_sum   'Tl4 Zn4'
_cell_volume   242.92
_cell_formula_units_Z   4
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  0.27  1.0
  Tl  Tl1  1  0.0  0.0  0.76  1.0
  Tl  Tl2  1  0.0  0.91  0.76  1.0
  Tl  Tl3  1  0.52  0.46  0.27  1.0
  Zn  Zn4  1  0.0  0.91  0.67  1.0
  Zn  Zn5  1  0.0  0.91  0.87  1.0
  Zn  Zn6  1  0.52  0.46  0.16  1.0
  Zn  Zn7  1  0.52  0.46  0.35  1.0

Tl Tl Tl Tl Zn Zn Zn Zn