data_Tl2FePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   3.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FePb
_chemical_formula_sum   'Tl2 Fe1 Pb1'
_cell_volume   103.34
_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  0.57  0.59  0.7  1.0
  Tl  Tl3  1  0.57  0.41  0.7  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.15  0.0  0.0  1.0

data_Tl2FePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   113.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FePb
_chemical_formula_sum   'Tl2 Fe1 Pb1'
_cell_volume   103.34
_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  0.7  0.57  0.41  1.0
  Tl  Tl1  1  0.7  0.57  0.59  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  -0.0  0.15  0.0  1.0

Tl Tl Fe Pb