# generated using pymatgen
data_Hf2BeB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24148229
_cell_length_b   3.43553341
_cell_length_c   5.64614062
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BeB3
_chemical_formula_sum   'Hf2 Be1 B3'
_cell_volume   62.87666812
_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  0.00000000  0.00000000  0.00331346  1.0
  Hf  Hf1  1  0.50000000  0.00000000  0.49529913  1.0
  Be  Be2  1  0.00000000  0.50000000  0.66899570  1.0
  B  B3  1  0.50000000  0.50000000  0.16292655  1.0
  B  B4  1  0.50000000  0.50000000  0.84489149  1.0
  B  B5  1  0.00000000  0.50000000  0.32457267  1.0