# generated using pymatgen
data_Pa2Ti3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00808609
_cell_length_b   7.00808609
_cell_length_c   12.99451174
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pa2Ti3Si4
_chemical_formula_sum   'Pa8 Ti12 Si16'
_cell_volume   638.20297192
_cell_formula_units_Z   4
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
  Pa  Pa0  1  0.33451349  0.00111873  0.46797231  1.0
  Pa  Pa1  1  0.49888227  0.83451349  0.71797231  1.0
  Pa  Pa2  1  0.50111773  0.16548651  0.21797231  1.0
  Pa  Pa3  1  0.83451349  0.49888227  0.28202769  1.0
  Pa  Pa4  1  0.16548651  0.50111773  0.78202769  1.0
  Pa  Pa5  1  0.66548651  0.99888227  0.96797231  1.0
  Pa  Pa6  1  0.00111873  0.33451349  0.53202769  1.0
  Pa  Pa7  1  0.99888227  0.66548651  0.03202769  1.0
  Ti  Ti8  1  0.33173743  0.33173743  0.00000000  1.0
  Ti  Ti9  1  0.16826257  0.83173743  0.25000000  1.0
  Ti  Ti10  1  0.83173743  0.16826257  0.75000000  1.0
  Ti  Ti11  1  0.66826257  0.66826257  0.50000000  1.0
  Ti  Ti12  1  0.15953377  0.00190914  0.87543643  1.0
  Ti  Ti13  1  0.49809086  0.65953377  0.12543643  1.0
  Ti  Ti14  1  0.50190914  0.34046623  0.62543643  1.0
  Ti  Ti15  1  0.65953377  0.49809086  0.87456357  1.0
  Ti  Ti16  1  0.34046623  0.50190914  0.37456357  1.0
  Ti  Ti17  1  0.84046623  0.99809086  0.37543643  1.0
  Ti  Ti18  1  0.00190914  0.15953377  0.12456357  1.0
  Ti  Ti19  1  0.99809086  0.84046623  0.62456357  1.0
  Si  Si20  1  0.20351195  0.12577148  0.68431368  1.0
  Si  Si21  1  0.37422852  0.70351195  0.93431368  1.0
  Si  Si22  1  0.62577148  0.29648805  0.43431368  1.0
  Si  Si23  1  0.70351195  0.37422852  0.06568632  1.0
  Si  Si24  1  0.29648805  0.62577148  0.56568632  1.0
  Si  Si25  1  0.79648805  0.87422852  0.18431368  1.0
  Si  Si26  1  0.12577148  0.20351195  0.31568632  1.0
  Si  Si27  1  0.87422852  0.79648805  0.81568632  1.0
  Si  Si28  1  0.29116275  0.96073273  0.06514158  1.0
  Si  Si29  1  0.53926727  0.79116275  0.31514158  1.0
  Si  Si30  1  0.46073273  0.20883725  0.81514158  1.0
  Si  Si31  1  0.79116275  0.53926727  0.68485842  1.0
  Si  Si32  1  0.20883725  0.46073273  0.18485842  1.0
  Si  Si33  1  0.70883725  0.03926727  0.56514158  1.0
  Si  Si34  1  0.96073273  0.29116275  0.93485842  1.0
  Si  Si35  1  0.03926727  0.70883725  0.43485842  1.0