[CIF]
data_Tl2CuB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46676880
_cell_length_b   6.46676880
_cell_length_c   4.27868253
_cell_angle_alpha   103.41209636
_cell_angle_beta   103.41209636
_cell_angle_gamma   31.28646923
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CuB
_chemical_formula_sum   'Tl2 Cu1 B1'
_cell_volume   90.18579689
_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  4.65680714  -0.00000000  1.25070094  1
  Cu  Cu1  1  10.04415074  -0.00000000  1.62430339  1
  Tl  Tl2  1  0.19841337  0.00000000  0.13109932  1
  Tl  Tl3  1  2.23639110  -0.00000000  3.22294795  1
[/CIF]
