# generated using pymatgen
data_Ta3Ti16Si16Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67890826
_cell_length_b   6.67890770
_cell_length_c   12.21775690
_cell_angle_alpha   90.07472072
_cell_angle_beta   89.92527758
_cell_angle_gamma   90.04399181
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ti16Si16Mo
_chemical_formula_sum   'Ta3 Ti16 Si16 Mo1'
_cell_volume   545.00631326
_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
  Ta  Ta0  1  0.17015551  0.17015551  0.00000000  1.0
  Ta  Ta1  1  0.32928289  0.67062774  0.25108346  1.0
  Ta  Ta2  1  0.67062774  0.32928289  0.74891654  1.0
  Ti  Ti3  1  0.99408675  0.14979664  0.62011287  1.0
  Ti  Ti4  1  0.34996564  0.49458932  0.87129599  1.0
  Ti  Ti5  1  0.64938116  0.50479827  0.37161459  1.0
  Ti  Ti6  1  0.49458932  0.34996564  0.12870401  1.0
  Ti  Ti7  1  0.50479827  0.64938116  0.62838541  1.0
  Ti  Ti8  1  0.00478708  0.85027504  0.12246434  1.0
  Ti  Ti9  1  0.14979664  0.99408675  0.37988713  1.0
  Ti  Ti10  1  0.85027504  0.00478708  0.87753566  1.0
  Ti  Ti11  1  0.00371985  0.34269902  0.22074077  1.0
  Ti  Ti12  1  0.15929568  0.50394685  0.47055744  1.0
  Ti  Ti13  1  0.84305028  0.49586315  0.96973471  1.0
  Ti  Ti14  1  0.50394685  0.15929568  0.52944256  1.0
  Ti  Ti15  1  0.49586315  0.84305028  0.03026529  1.0
  Ti  Ti16  1  0.99624650  0.65657471  0.72042207  1.0
  Ti  Ti17  1  0.34269902  0.00371985  0.77925923  1.0
  Ti  Ti18  1  0.65657471  0.99624650  0.27957793  1.0
  Si  Si19  1  0.04561044  0.30160379  0.81192133  1.0
  Si  Si20  1  0.19766893  0.54582901  0.06257076  1.0
  Si  Si21  1  0.80317442  0.45807510  0.56156286  1.0
  Si  Si22  1  0.54582901  0.19766893  0.93742924  1.0
  Si  Si23  1  0.45807510  0.80317442  0.43843714  1.0
  Si  Si24  1  0.95281541  0.69893344  0.31403289  1.0
  Si  Si25  1  0.30160379  0.04561044  0.18807867  1.0
  Si  Si26  1  0.69893344  0.95281541  0.68596711  1.0
  Si  Si27  1  0.29191137  0.35923893  0.67190797  1.0
  Si  Si28  1  0.14012586  0.79194014  0.92236754  1.0
  Si  Si29  1  0.85950743  0.20688365  0.42174905  1.0
  Si  Si30  1  0.79194014  0.14012586  0.07763246  1.0
  Si  Si31  1  0.20688365  0.85950743  0.57825095  1.0
  Si  Si32  1  0.70769632  0.64036978  0.17250612  1.0
  Si  Si33  1  0.35923893  0.29191137  0.32809203  1.0
  Si  Si34  1  0.64036978  0.70769632  0.82749388  1.0
  Mo  Mo35  1  0.82946990  0.82946990  0.50000000  1.0