[CIF]
data_Sc2TlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90375791
_cell_length_b   8.90375791
_cell_length_c   8.90375791
_cell_angle_alpha   21.26951089
_cell_angle_beta   21.26951089
_cell_angle_gamma   21.26951089
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TlFe
_chemical_formula_sum   'Sc2 Tl1 Fe1'
_cell_volume   81.36462494
_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
  Fe  Fe0  1  -0.00000000  -0.00000000  -0.00000000  1
  Sc  Sc1  1  -0.00000000  0.00000000  6.94864485  1
  Sc  Sc2  1  -0.00000000  -0.00000000  19.14909793  1
  Tl  Tl3  1  -0.00000000  0.00000000  13.04887139  1
[/CIF]
