# generated using pymatgen
data_Ti12SiAs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.10075986
_cell_length_b   10.15522013
_cell_length_c   5.08640818
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.12264738
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12SiAs2Se
_chemical_formula_sum   'Ti24 Si2 As4 Se2'
_cell_volume   521.73936128
_cell_formula_units_Z   2
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  0.21655886  0.68271096  0.99184236  1.0
  Ti  Ti1  1  0.78344114  0.31728904  0.99184236  1.0
  Ti  Ti2  1  0.18430728  0.28410721  0.49653321  1.0
  Ti  Ti3  1  0.81569272  0.71589279  0.49653321  1.0
  Ti  Ti4  1  0.28745711  0.81803086  0.50886722  1.0
  Ti  Ti5  1  0.71254289  0.18196914  0.50886722  1.0
  Ti  Ti6  1  0.31683205  0.21652913  0.00313232  1.0
  Ti  Ti7  1  0.68316795  0.78347087  0.00313232  1.0
  Ti  Ti8  1  0.64007821  0.52666504  0.71542324  1.0
  Ti  Ti9  1  0.35992179  0.47333496  0.71542324  1.0
  Ti  Ti10  1  0.02775998  0.85684134  0.21329563  1.0
  Ti  Ti11  1  0.97224002  0.14315866  0.21329563  1.0
  Ti  Ti12  1  0.85724444  0.97240423  0.78622681  1.0
  Ti  Ti13  1  0.14275556  0.02759577  0.78622681  1.0
  Ti  Ti14  1  0.47212159  0.64433349  0.28566762  1.0
  Ti  Ti15  1  0.52787841  0.35566651  0.28566762  1.0
  Ti  Ti16  1  0.10463603  0.58247457  0.46712936  1.0
  Ti  Ti17  1  0.89536397  0.41752543  0.46712936  1.0
  Ti  Ti18  1  0.08065270  0.39569753  0.96121241  1.0
  Ti  Ti19  1  0.91934730  0.60430247  0.96121241  1.0
  Ti  Ti20  1  0.39449299  0.91701890  0.02416319  1.0
  Ti  Ti21  1  0.60550701  0.08298110  0.02416319  1.0
  Ti  Ti22  1  0.41835391  0.10550068  0.54718094  1.0
  Ti  Ti23  1  0.58164609  0.89449932  0.54718094  1.0
  Si  Si24  1  0.45967227  0.70449059  0.78838237  1.0
  Si  Si25  1  0.54032773  0.29550941  0.78838237  1.0
  As  As26  1  0.04070563  0.79469375  0.71064229  1.0
  As  As27  1  0.95929437  0.20530625  0.71064229  1.0
  As  As28  1  0.79336304  0.95942293  0.28822808  1.0
  As  As29  1  0.20663696  0.04057707  0.28822808  1.0
  Se  Se30  1  0.70654668  0.54054621  0.21207396  1.0
  Se  Se31  1  0.29345332  0.45945379  0.21207396  1.0