# generated using pymatgen
data_Sc2TlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.59838000
_cell_length_b   12.59838000
_cell_length_c   12.59838000
_cell_angle_alpha   132.66168802
_cell_angle_beta   119.64406417
_cell_angle_gamma   80.07967640
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TlFe
_chemical_formula_sum   'Sc2 Tl1 Fe1'
_cell_volume   1235.77469351
_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
  Sc  Sc0  1  0.00000000  0.20388600  0.20388600  1.0
  Sc  Sc1  1  0.00000000  0.79611400  0.79611400  1.0
  Tl  Tl2  1  0.00000000  0.50000000  0.50000000  1.0
  Fe  Fe3  1  0.00000000  0.00000000  0.00000000  1.0