# generated using pymatgen
data_Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57353681
_cell_length_b   3.43999440
_cell_length_c   4.17327056
_cell_angle_alpha   114.33972885
_cell_angle_beta   107.95896980
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Br
_chemical_formula_sum   Br1
_cell_volume   31.67578476
_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
  Br  Br0  1  0.00000000  -0.00000000  -0.00000000  1.0