# generated using pymatgen
data_ScTiTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.07405555
_cell_length_b   12.07405555
_cell_length_c   12.07405555
_cell_angle_alpha   123.40737674
_cell_angle_beta   118.13682906
_cell_angle_gamma   88.72981895
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiTl2
_chemical_formula_sum   'Sc1 Ti1 Tl2'
_cell_volume   1226.44416043
_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  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.00000000  0.50000000  0.50000000  1.0
  Tl  Tl2  1  0.00000000  0.25356300  0.25356300  1.0
  Tl  Tl3  1  0.00000000  0.74643700  0.74643700  1.0