[CIF]
data_CuBBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44305434
_cell_length_b   5.44305434
_cell_length_c   7.07827732
_cell_angle_alpha   112.64679975
_cell_angle_beta   112.64679975
_cell_angle_gamma   38.68879531
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBBr2
_chemical_formula_sum   'Cu1 B1 Br2'
_cell_volume   119.67376060
_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  1.53766442  0.00000000  2.38332751  1
  Br  Br1  1  0.60414482  0.00000000  0.69723676  1
  Br  Br2  1  5.58224610  0.00000000  3.66889632  1
  Cu  Cu3  1  3.35039669  0.00000000  2.94363043  1
[/CIF]
