# generated using pymatgen
data_CuBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51154874
_cell_length_b   4.02095744
_cell_length_c   6.56004875
_cell_angle_alpha   83.38755973
_cell_angle_beta   74.47574255
_cell_angle_gamma   64.10930903
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBr2
_chemical_formula_sum   'Cu1 Br2'
_cell_volume   80.28921196
_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
  Cu  Cu0  1  0.00000000  -0.00000000  0.00000000  1.0
  Br  Br1  1  0.27169075  0.22515345  0.23146704  1.0
  Br  Br2  1  0.72830925  0.77484655  0.76853296  1.0