data_ZrTlBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   3.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTlBi2
_chemical_formula_sum   'Zr1 Tl1 Bi2'
_cell_volume   109.42
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.26  0.0  0.0  1.0
  Bi  Bi0  1  0.63  0.18  0.92  1.0
  Bi  Bi1  1  0.63  0.82  0.92  1.0

data_ZrTlBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   106.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTlBi2
_chemical_formula_sum   'Zr1 Tl1 Bi2'
_cell_volume   109.42
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.26  0.0  1.0
  Bi  Bi2  1  0.92  0.63  0.18  1.0
  Bi  Bi3  1  0.92  0.63  0.82  1.0

Zr Tl Bi Bi
Zr Tl Bi Bi 0 1 o o o 0 3 - - - 1 2 o o - 2 3 o - o 