data_TlZnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   135.48
_cell_angle_beta   123.98
_cell_angle_gamma   74.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnBi2
_chemical_formula_sum   'Tl1 Zn1 Bi2'
_cell_volume   113.57
_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  Tl2  1  0.0  0.75  0.22  1.0
  Zn  Zn3  1  0.0  0.0  0.04  1.0
  Bi  Bi0  1  0.0  0.75  0.43  1.0
  Bi  Bi1  1  0.0  0.0  0.3  1.0

data_TlZnBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   5.49
_cell_length_c   5.85
_cell_angle_alpha   118.01
_cell_angle_beta   112.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnBi2
_chemical_formula_sum   'Tl1 Zn1 Bi2'
_cell_volume   113.57
_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  0.78  0.53  0.53  1.0
  Zn  Zn1  1  0.96  0.96  0.96  1.0
  Bi  Bi2  1  0.57  0.31  0.31  1.0
  Bi  Bi3  1  0.7  0.7  0.7  1.0

Tl Zn Bi Bi