# generated using pymatgen
data_Hf3BiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06837260
_cell_length_b   6.06837216
_cell_length_c   9.22993294
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.15155323
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3BiB
_chemical_formula_sum   'Hf6 Bi2 B2'
_cell_volume   194.21781910
_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  0.12609570  0.87390330  0.04501101  1.0
  Hf  Hf1  1  0.46127531  0.53872269  0.25000000  1.0
  Hf  Hf2  1  0.12609570  0.87390330  0.45498799  1.0
  Hf  Hf3  1  0.87390330  0.12609570  0.54501101  1.0
  Hf  Hf4  1  0.53872269  0.46127531  0.75000000  1.0
  Hf  Hf5  1  0.87390330  0.12609570  0.95498799  1.0
  Bi  Bi6  1  0.75170618  0.24829182  0.25000000  1.0
  Bi  Bi7  1  0.24829182  0.75170618  0.75000000  1.0
  B  B8  1  0.49999900  0.49999900  0.00000000  1.0
  B  B9  1  0.49999900  0.49999900  0.50000000  1.0