[CIF]
data_ScTlB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67578009
_cell_length_b   3.15617326
_cell_length_c   5.82834447
_cell_angle_alpha   90.00000000
_cell_angle_beta   94.29862251
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlB2
_chemical_formula_sum   'Sc1 Tl1 B2'
_cell_volume   67.42673780
_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
  B  B0  1  -0.07462001  0.00000000  5.10481471  1
  B  B1  1  -0.02789810  1.57808663  4.70159849  1
  Sc  Sc2  1  1.70835141  0.00000000  3.59631464  1
  Tl  Tl3  1  2.81568150  1.57808663  1.12714456  1
[/CIF]
