# generated using pymatgen
data_YScTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.34758082
_cell_length_b   12.34758082
_cell_length_c   12.34758082
_cell_angle_alpha   123.27258744
_cell_angle_beta   117.93407702
_cell_angle_gamma   89.02144201
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScTl2
_chemical_formula_sum   'Y1 Sc1 Tl2'
_cell_volume   1315.15656224
_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
  Y  Y0  1  0.00000000  0.50000000  0.50000000  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl2  1  0.00000000  0.24488300  0.24488300  1.0
  Tl  Tl3  1  0.00000000  0.75511700  0.75511700  1.0