data_TlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91
_cell_length_b   4.13
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn
_chemical_formula_sum   'Tl4 Zn4'
_cell_volume   191.89
_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  0.37  0.1  0.24  1.0
  Tl  Tl1  1  0.59  0.03  0.3  1.0
  Tl  Tl2  1  0.32  0.1  0.58  1.0
  Tl  Tl3  1  0.54  0.03  0.64  1.0
  Zn  Zn4  1  0.31  0.1  0.18  1.0
  Zn  Zn5  1  0.65  0.03  0.12  1.0
  Zn  Zn6  1  0.26  0.1  0.75  1.0
  Zn  Zn7  1  0.6  0.03  0.69  1.0

data_TlZn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.13
_cell_length_b   5.88
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TlZn
_chemical_formula_sum   'Tl4 Zn4'
_cell_volume   191.89
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.03  0.8  0.91  1.0
  Tl  Tl1  2  0.03  0.14  0.87  1.0
  Zn  Zn2  2  0.03  0.75  0.85  1.0
  Zn  Zn3  2  0.03  0.32  0.81  1.0

Tl Tl Tl Tl Zn Zn Zn Zn