# generated using pymatgen
data_Ti5Nb(ReSi)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51879346
_cell_length_b   7.51888343
_cell_length_c   7.51879368
_cell_angle_alpha   126.12958442
_cell_angle_beta   128.83515542
_cell_angle_gamma   77.48472639
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5Nb(ReSi)6
_chemical_formula_sum   'Ti5 Nb1 Re6 Si6'
_cell_volume   259.39385834
_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  0.54847929  0.09573624  0.04725695  1.0
  Ti  Ti1  1  0.45001802  0.49093783  0.54092081  1.0
  Ti  Ti2  1  0.95148302  0.49885230  0.04737028  1.0
  Ti  Ti3  1  0.04995678  0.09072802  0.54077224  1.0
  Ti  Ti4  1  0.75000462  0.89903225  0.64902764  1.0
  Nb  Nb5  1  0.25002495  0.90223704  0.15221209  1.0
  Re  Re6  1  0.50202382  0.23689860  0.73895857  1.0
  Re  Re7  1  0.99794003  0.23689860  0.23487478  1.0
  Re  Re8  1  0.13027884  0.75792212  0.62723990  1.0
  Re  Re9  1  0.86934912  0.49700931  0.62724776  1.0
  Re  Re10  1  0.63068323  0.75792212  0.12764228  1.0
  Re  Re11  1  0.36976155  0.49700931  0.12766019  1.0
  Si  Si12  1  0.74997926  0.49833729  0.24835803  1.0
  Si  Si13  1  0.24997359  0.49461907  0.74464548  1.0
  Si  Si14  1  0.33705297  0.82878417  0.50222275  1.0
  Si  Si15  1  0.67345494  0.16524428  0.50226872  1.0
  Si  Si16  1  0.82655942  0.82878417  0.99173020  1.0
  Si  Si17  1  0.16297656  0.16524428  0.99179034  1.0