# generated using pymatgen
data_Ti2Nb12Si3As5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52914960
_cell_length_b   7.89121868
_cell_length_c   14.05883350
_cell_angle_alpha   103.86847208
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92130277
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Nb12Si3As5
_chemical_formula_sum   'Ti2 Nb12 Si3 As5'
_cell_volume   369.89488428
_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  0.00035219  0.00070538  0.99987655  1.0
  Ti  Ti1  1  0.49789650  0.99579300  0.50050467  1.0
  Nb  Nb2  1  0.42651543  0.85303286  0.82427230  1.0
  Nb  Nb3  1  0.57297529  0.14595058  0.17092306  1.0
  Nb  Nb4  1  0.19630726  0.39261552  0.30776523  1.0
  Nb  Nb5  1  0.80285359  0.60570817  0.69115113  1.0
  Nb  Nb6  1  0.21129009  0.42257917  0.79926007  1.0
  Nb  Nb7  1  0.78894859  0.57789718  0.20054726  1.0
  Nb  Nb8  1  0.33268177  0.66536354  0.02874209  1.0
  Nb  Nb9  1  0.66770809  0.33541717  0.97023033  1.0
  Nb  Nb10  1  0.99872428  0.99744856  0.66107587  1.0
  Nb  Nb11  1  0.99978339  0.99956678  0.33812129  1.0
  Nb  Nb12  1  0.18156039  0.36312079  0.54767851  1.0
  Nb  Nb13  1  0.82268454  0.64537008  0.45739849  1.0
  Si  Si14  1  0.17455212  0.34910324  0.10774503  1.0
  Si  Si15  1  0.82628620  0.65257439  0.89128709  1.0
  Si  Si16  1  0.37256060  0.74512319  0.60020864  1.0
  As  As17  1  0.62788535  0.25576870  0.40339090  1.0
  As  As18  1  0.37293404  0.74586609  0.33545199  1.0
  As  As19  1  0.62563914  0.25127928  0.66499277  1.0
  As  As20  1  0.06152432  0.12304864  0.84953206  1.0
  As  As21  1  0.93833385  0.87666770  0.14984566  1.0