[CIF]
data_BaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37058175
_cell_length_b   8.37058175
_cell_length_c   3.28821402
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   150.96660203
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaB
_chemical_formula_sum   'Ba2 B2'
_cell_volume   111.81471856
_cell_formula_units_Z   2
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  2.09818812  -0.14567858  0.82205350  1
  B  B1  1  2.09818812  0.14567858  2.46616052  1
  Ba  Ba2  1  2.09818812  -6.14689057  0.82205350  1
  Ba  Ba3  1  2.09818812  6.14689057  2.46616052  1
[/CIF]
