# generated using pymatgen
data_Ti3Nb3Sn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28150853
_cell_length_b   5.28133823
_cell_length_c   5.28006318
_cell_angle_alpha   90.03262139
_cell_angle_beta   90.03338627
_cell_angle_gamma   90.03783454
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb3Sn2
_chemical_formula_sum   'Ti3 Nb3 Sn2'
_cell_volume   147.27900726
_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  -0.00001716  0.74145078  0.25859237  1.0
  Ti  Ti1  1  0.74143638  0.25854699  -0.00002898  1.0
  Ti  Ti2  1  0.25855800  0.00004746  0.74141052  1.0
  Nb  Nb3  1  0.50000974  0.74383081  0.25625757  1.0
  Nb  Nb4  1  0.74382356  0.25615882  0.50002392  1.0
  Nb  Nb5  1  0.25618578  0.49997107  0.74374177  1.0
  Sn  Sn6  1  0.24432895  0.24429040  0.24431192  1.0
  Sn  Sn7  1  0.75567475  0.75570467  0.75568992  1.0