# generated using pymatgen
data_Ti20Sn12B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44911745
_cell_length_b   8.05312178
_cell_length_c   13.90606829
_cell_angle_alpha   89.99999302
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.93358273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti20Sn12B
_chemical_formula_sum   'Ti20 Sn12 B1'
_cell_volume   610.23133029
_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  0.50000046  0.99999601  0.33524658  1.0
  Ti  Ti1  1  0.50000049  0.50000152  0.83112918  1.0
  Ti  Ti2  1  0.50000049  0.50000152  0.16887082  1.0
  Ti  Ti3  1  0.50000046  0.99999601  0.66475342  1.0
  Ti  Ti4  1  0.99999957  0.50000242  0.16637902  1.0
  Ti  Ti5  1  0.99999940  0.99999588  0.66729463  1.0
  Ti  Ti6  1  0.99999940  0.99999588  0.33270537  1.0
  Ti  Ti7  1  0.99999957  0.50000242  0.83362098  1.0
  Ti  Ti8  1  0.76063419  0.23282241  1.00000000  1.0
  Ti  Ti9  1  0.74690553  0.74406862  0.50000000  1.0
  Ti  Ti10  1  0.74667357  0.38134676  0.37935360  1.0
  Ti  Ti11  1  0.76031576  0.88299477  0.88420474  1.0
  Ti  Ti12  1  0.76031576  0.88299477  0.11579526  1.0
  Ti  Ti13  1  0.74667357  0.38134676  0.62064640  1.0
  Ti  Ti14  1  0.23936553  0.76717325  0.00000000  1.0
  Ti  Ti15  1  0.25309249  0.25594174  0.50000000  1.0
  Ti  Ti16  1  0.23968760  0.11699904  0.11579562  1.0
  Ti  Ti17  1  0.25332353  0.61866249  0.62064270  1.0
  Ti  Ti18  1  0.25332353  0.61866249  0.37935730  1.0
  Ti  Ti19  1  0.23968760  0.11699904  0.88420438  1.0
  Sn  Sn20  1  0.74560279  0.60264046  1.00000000  1.0
  Sn  Sn21  1  0.75283347  0.11020953  0.50000000  1.0
  Sn  Sn22  1  0.74564592  0.19699003  0.19753526  1.0
  Sn  Sn23  1  0.75278498  0.69762862  0.69682497  1.0
  Sn  Sn24  1  0.75278498  0.69762862  0.30317503  1.0
  Sn  Sn25  1  0.74564592  0.19699003  0.80246474  1.0
  Sn  Sn26  1  0.25439617  0.39735696  0.00000000  1.0
  Sn  Sn27  1  0.24716307  0.88978799  0.50000000  1.0
  Sn  Sn28  1  0.24721437  0.30237669  0.30317009  1.0
  Sn  Sn29  1  0.25435843  0.80300629  0.80246423  1.0
  Sn  Sn30  1  0.25435843  0.80300629  0.19753577  1.0
  Sn  Sn31  1  0.24721437  0.30237669  0.69682991  1.0
  B  B32  1  0.00000158  0.99999804  0.00000000  1.0