# generated using pymatgen
data_Ti6Nb6Si5B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61578648
_cell_length_b   7.61513919
_cell_length_c   7.61578598
_cell_angle_alpha   127.33749962
_cell_angle_beta   125.04928600
_cell_angle_gamma   79.58633930
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6Nb6Si5B
_chemical_formula_sum   'Ti6 Nb6 Si5 B1'
_cell_volume   277.79922188
_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
  Ti  Ti0  1  0.51515955  0.25269865  0.76792881  1.0
  Ti  Ti1  1  0.98477084  0.25269865  0.23753910  1.0
  Ti  Ti2  1  0.10607633  0.74053885  0.60283547  1.0
  Ti  Ti3  1  0.86207160  0.49664594  0.60233237  1.0
  Ti  Ti4  1  0.63770237  0.74053885  0.13446251  1.0
  Ti  Ti5  1  0.39431357  0.49664594  0.13457534  1.0
  Nb  Nb6  1  0.54331601  0.08379745  0.04048045  1.0
  Nb  Nb7  1  0.45417272  0.49664911  0.54247639  1.0
  Nb  Nb8  1  0.95654086  0.49727215  0.04073129  1.0
  Nb  Nb9  1  0.04576005  0.08831159  0.54255254  1.0
  Nb  Nb10  1  0.74998285  0.90766855  0.65768570  1.0
  Nb  Nb11  1  0.24993953  0.90809979  0.15816026  1.0
  Si  Si12  1  0.24989778  0.49835305  0.74845627  1.0
  Si  Si13  1  0.33240387  0.83001038  0.49586237  1.0
  Si  Si14  1  0.66590232  0.16364000  0.49606352  1.0
  Si  Si15  1  0.83414801  0.83001038  0.99760651  1.0
  Si  Si16  1  0.16757648  0.16364000  0.99773768  1.0
  B  B17  1  0.75026626  0.49497967  0.24471342  1.0