data_TlZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.36
_cell_length_b   8.36
_cell_length_c   4.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   152.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2
_chemical_formula_sum   'Tl2 Zn4'
_cell_volume   131.19
_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  0.99  0.4  0.01  1.0
  Tl  Tl1  1  0.99  0.6  0.04  1.0
  Zn  Zn2  1  0.99  0.92  0.01  1.0
  Zn  Zn3  1  0.99  0.08  0.04  1.0
  Zn  Zn4  1  0.99  0.91  0.01  1.0
  Zn  Zn5  1  0.99  0.09  0.04  1.0

data_TlZn2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.99
_cell_length_b   4.06
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   103.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TlZn2
_chemical_formula_sum   'Tl2 Zn4'
_cell_volume   131.19
_cell_formula_units_Z   2
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  0.4  0.51  0.4  1.0
  Zn  Zn1  2  0.08  0.49  0.08  1.0
  Zn  Zn2  2  0.09  0.49  0.09  1.0

Tl Tl Zn Zn Zn Zn