data_Tl2ZnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   5.03
_cell_angle_alpha   109.23
_cell_angle_beta   109.23
_cell_angle_gamma   29.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnFe
_chemical_formula_sum   'Tl2 Zn1 Fe1'
_cell_volume   84.84
_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  0.26  0.0  0.32  1.0
  Tl  Tl2  1  0.57  0.0  0.37  1.0
  Zn  Zn3  1  0.41  0.0  0.36  1.0
  Fe  Fe0  1  0.64  0.0  0.05  1.0

data_Tl2ZnFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.03
_cell_length_c   6.02
_cell_angle_alpha   109.23
_cell_angle_beta   104.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnFe
_chemical_formula_sum   'Tl2 Zn1 Fe1'
_cell_volume   84.84
_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  0.32  0.26  1.0
  Tl  Tl1  1  0.0  0.37  0.57  1.0
  Zn  Zn2  1  0.0  0.36  0.41  1.0
  Fe  Fe3  1  0.0  0.05  0.64  1.0

Tl Tl Zn Fe