data_Zr2TlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlZn
_chemical_formula_sum   'Zr2 Tl1 Zn1'
_cell_volume   83.76
_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  Zr2  1  0.55  0.13  0.59  1.0
  Zr  Zr3  1  0.55  0.87  0.59  1.0
  Tl  Tl0  1  0.1  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0

data_Zr2TlZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   108.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlZn
_chemical_formula_sum   'Zr2 Tl1 Zn1'
_cell_volume   83.76
_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  0.59  0.55  0.13  1.0
  Zr  Zr1  1  0.59  0.55  0.87  1.0
  Tl  Tl2  1  0.0  0.1  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

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