# generated using pymatgen
data_Hf2Nb3Sn3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56147872
_cell_length_b   8.27251375
_cell_length_c   8.31370877
_cell_angle_alpha   119.83618815
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Nb3Sn3B
_chemical_formula_sum   'Hf4 Nb6 Sn6 B2'
_cell_volume   331.79339212
_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  0.75000000  0.23917410  0.23466230  1.0
  Hf  Hf1  1  0.25000000  0.99548820  0.23466230  1.0
  Hf  Hf2  1  0.25000100  0.76082590  0.76533770  1.0
  Hf  Hf3  1  0.74999900  0.00451180  0.76533870  1.0
  Nb  Nb4  1  0.25000000  0.22246878  0.00000000  1.0
  Nb  Nb5  1  0.74999900  0.77753122  1.00000000  1.0
  Nb  Nb6  1  0.00000000  0.66805974  0.33611947  1.0
  Nb  Nb7  1  0.49999900  0.66805974  0.33611947  1.0
  Nb  Nb8  1  0.00000000  0.33194026  0.66387953  1.0
  Nb  Nb9  1  0.49999900  0.33194126  0.66388053  1.0
  Sn  Sn10  1  0.74999900  0.41004382  0.00000000  1.0
  Sn  Sn11  1  0.24999800  0.58995418  1.00000000  1.0
  Sn  Sn12  1  0.25000100  0.39949735  0.39831068  1.0
  Sn  Sn13  1  0.74999900  0.99881433  0.39831068  1.0
  Sn  Sn14  1  0.75000000  0.60050265  0.60168932  1.0
  Sn  Sn15  1  0.24999800  0.00118567  0.60169032  1.0
  B  B16  1  0.00000000  0.00000000  0.00000000  1.0
  B  B17  1  0.49999900  0.00000000  0.00000000  1.0