data_Tl2ZnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   3.34
_cell_angle_alpha   99.83
_cell_angle_beta   99.83
_cell_angle_gamma   117.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnSn
_chemical_formula_sum   'Tl2 Zn1 Sn1'
_cell_volume   109.8
_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  Tl1  1  0.08  0.33  0.58  1.0
  Tl  Tl2  1  0.08  0.67  0.58  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Sn  Sn0  1  0.25  0.0  0.0  1.0

data_Tl2ZnSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   117.33
_cell_angle_beta   99.83
_cell_angle_gamma   99.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnSn
_chemical_formula_sum   'Tl2 Zn1 Sn1'
_cell_volume   109.8
_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  0.58  0.08  0.33  1.0
  Tl  Tl1  1  0.58  0.08  0.67  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.25  0.0  1.0

Tl Tl Zn Sn