data_TlFe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   4.65
_cell_angle_alpha   107.31
_cell_angle_beta   107.31
_cell_angle_gamma   31.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2Sn
_chemical_formula_sum   'Tl1 Fe2 Sn1'
_cell_volume   72.38
_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  Tl3  1  0.75  0.0  0.52  1.0
  Fe  Fe0  1  1.0  0.0  0.41  1.0
  Fe  Fe1  1  0.36  0.0  0.13  1.0
  Sn  Sn2  1  0.57  0.0  0.99  1.0

data_TlFe2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.65
_cell_length_c   5.63
_cell_angle_alpha   107.31
_cell_angle_beta   105.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2Sn
_chemical_formula_sum   'Tl1 Fe2 Sn1'
_cell_volume   72.38
_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  0.52  0.75  1.0
  Fe  Fe1  1  0.0  0.13  0.36  1.0
  Fe  Fe2  1  0.0  0.41  1.0  1.0
  Sn  Sn3  1  0.0  0.99  0.57  1.0

Tl Fe Fe Sn