# generated using pymatgen
data_Sc2TiTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.32661145
_cell_length_b   12.32661145
_cell_length_c   12.32661145
_cell_angle_alpha   128.69909372
_cell_angle_beta   117.10898433
_cell_angle_gamma   85.35884937
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TiTl
_chemical_formula_sum   'Sc2 Ti1 Tl1'
_cell_volume   1243.79679274
_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  0.22095700  0.22095700  1.0
  Sc  Sc1  1  0.00000000  0.77904300  0.77904300  1.0
  Ti  Ti2  1  0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl3  1  0.00000000  0.50000000  0.50000000  1.0