# generated using pymatgen
data_Ti3Nb2Sn3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13713402
_cell_length_b   8.13713386
_cell_length_c   5.41667736
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.10471448
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb2Sn3B
_chemical_formula_sum   'Ti6 Nb4 Sn6 B2'
_cell_volume   310.27537239
_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
  Ti  Ti0  1  0.66484418  0.33235233  0.00009924  1.0
  Ti  Ti1  1  0.33235233  0.66484418  0.00009924  1.0
  Ti  Ti2  1  0.33235233  0.66484418  0.49990076  1.0
  Ti  Ti3  1  0.66484418  0.33235233  0.49990076  1.0
  Ti  Ti4  1  0.77099867  0.00072704  0.25000000  1.0
  Ti  Ti5  1  0.00072704  0.77099867  0.25000000  1.0
  Nb  Nb6  1  0.77132566  0.77132566  0.75000000  1.0
  Nb  Nb7  1  0.23147955  0.00011093  0.75000000  1.0
  Nb  Nb8  1  0.00011093  0.23147955  0.75000000  1.0
  Nb  Nb9  1  0.23086702  0.23086702  0.25000000  1.0
  Sn  Sn10  1  0.40519112  0.40519112  0.75000000  1.0
  Sn  Sn11  1  0.59666439  0.99953297  0.75000000  1.0
  Sn  Sn12  1  0.99953297  0.59666439  0.75000000  1.0
  Sn  Sn13  1  0.60060943  0.60060943  0.25000000  1.0
  Sn  Sn14  1  0.40309498  0.99680242  0.25000000  1.0
  Sn  Sn15  1  0.99680242  0.40309498  0.25000000  1.0
  B  B16  1  0.99910140  0.99910140  0.00437686  1.0
  B  B17  1  0.99910140  0.99910140  0.49562314  1.0