# generated using pymatgen
data_Nb3B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15524569
_cell_length_b   3.31677141
_cell_length_c   7.43762542
_cell_angle_alpha   102.87449486
_cell_angle_beta   102.22931132
_cell_angle_gamma   89.97497113
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3B4
_chemical_formula_sum   'Nb3 B4'
_cell_volume   74.06841806
_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
  Nb  Nb0  1  0.18503853  0.18476361  0.36979143  1.0
  Nb  Nb1  1  0.81496147  0.81523639  0.63020857  1.0
  Nb  Nb2  1  0.50000000  -0.00000000  -0.00000000  1.0
  B  B3  1  0.93569982  0.43566256  0.87141261  1.0
  B  B4  1  0.06430018  0.56433744  0.12858739  1.0
  B  B5  1  0.36798822  0.36771448  0.73557878  1.0
  B  B6  1  0.63201178  0.63228552  0.26442122  1.0