# generated using pymatgen
data_HfBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98704644
_cell_length_b   9.98704644
_cell_length_c   3.38809886
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000660
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBr3
_chemical_formula_sum   'Hf2 Br6'
_cell_volume   292.65827953
_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
  Hf  Hf0  1  0.33333300  0.66666700  0.75000000  1.0
  Hf  Hf1  1  0.66666700  0.33333300  0.25000000  1.0
  Br  Br2  1  0.21463174  0.42926249  0.25000000  1.0
  Br  Br3  1  0.57073751  0.78536826  0.25000000  1.0
  Br  Br4  1  0.21463174  0.78536826  0.25000000  1.0
  Br  Br5  1  0.78535661  0.57071422  0.75000000  1.0
  Br  Br6  1  0.42928578  0.21464339  0.75000000  1.0
  Br  Br7  1  0.78535661  0.21464339  0.75000000  1.0