# generated using pymatgen
data_Li2ScTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.12371675
_cell_length_b   14.15365172
_cell_length_c   14.15365133
_cell_angle_alpha   61.86788039
_cell_angle_beta   62.37931538
_cell_angle_gamma   62.37931668
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ScTl
_chemical_formula_sum   'Li2 Sc1 Tl1'
_cell_volume   1950.60723489
_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
  Li  Li0  1  0.74176706  0.00000000  0.00000000  1
  Li  Li1  1  0.25823294  -0.00000000  -0.00000000  1
  Sc  Sc2  1  -0.00000000  0.00000000  0.00000000  1
  Tl  Tl3  1  0.50000000  0.00000000  0.00000000  1
