data_TlZnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   148.59
_cell_angle_beta   141.19
_cell_angle_gamma   50.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnSn
_chemical_formula_sum   'Tl1 Zn1 Sn1'
_cell_volume   76.42
_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  0.0  0.0  0.52  1.0
  Zn  Zn2  1  0.0  0.0  0.9  1.0
  Sn  Sn0  1  0.0  0.0  0.89  1.0

data_TlZnSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.1
_cell_length_c   6.17
_cell_angle_alpha   109.41
_cell_angle_beta   105.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnSn
_chemical_formula_sum   'Tl1 Zn1 Sn1'
_cell_volume   76.42
_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  0.0  0.52  0.52  1.0
  Zn  Zn1  1  0.0  0.9  0.9  1.0
  Sn  Sn2  1  0.0  0.89  0.89  1.0

Tl Zn Sn
Tl Zn Sn 0 2 o o o 0 1 o o o 1 2 o o o 