data_Tl2ZnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnFe
_chemical_formula_sum   'Tl2 Zn1 Fe1'
_cell_volume   83.17
_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  0.59  0.06  0.59  1.0
  Tl  Tl2  1  0.59  0.94  0.59  1.0
  Zn  Zn3  1  0.18  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_Tl2ZnFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   104.6
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnFe
_chemical_formula_sum   'Tl2 Zn1 Fe1'
_cell_volume   83.17
_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  0.59  0.59  0.06  1.0
  Tl  Tl1  1  0.59  0.59  0.94  1.0
  Zn  Zn2  1  0.0  0.18  0.0  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

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