# generated using pymatgen
data_Hf2BBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53223566
_cell_length_b   3.53223579
_cell_length_c   9.73158574
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000801
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BBr2
_chemical_formula_sum   'Hf2 B1 Br2'
_cell_volume   105.15103907
_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
  Hf  Hf0  1  0.33333300  0.66666600  0.37447384  1.0
  Hf  Hf1  1  0.66666800  0.33333500  0.62552616  1.0
  B  B2  1  0.00000000  0.00000000  0.50000000  1.0
  Br  Br3  1  0.66666800  0.33333500  0.17993806  1.0
  Br  Br4  1  0.33333300  0.66666600  0.82006194  1.0