# generated using pymatgen
data_Ti6AsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.10363334
_cell_length_b   10.10363334
_cell_length_c   5.11329697
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6AsSe
_chemical_formula_sum   'Ti24 As4 Se4'
_cell_volume   521.98277436
_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
  Ti  Ti0  1  0.21504096  0.68226344  0.98849196  1.0
  Ti  Ti1  1  0.78495904  0.31773656  0.98849196  1.0
  Ti  Ti2  1  0.18226344  0.28495904  0.48849196  1.0
  Ti  Ti3  1  0.81773656  0.71504096  0.48849196  1.0
  Ti  Ti4  1  0.28529733  0.81733742  0.51089613  1.0
  Ti  Ti5  1  0.71470267  0.18266258  0.51089613  1.0
  Ti  Ti6  1  0.31733742  0.21470267  0.01089613  1.0
  Ti  Ti7  1  0.68266258  0.78529733  0.01089613  1.0
  Ti  Ti8  1  0.64338361  0.52725615  0.70919157  1.0
  Ti  Ti9  1  0.35661639  0.47274385  0.70919157  1.0
  Ti  Ti10  1  0.02725615  0.85661639  0.20919157  1.0
  Ti  Ti11  1  0.97274385  0.14338361  0.20919157  1.0
  Ti  Ti12  1  0.85642563  0.97284254  0.79087212  1.0
  Ti  Ti13  1  0.14357437  0.02715746  0.79087212  1.0
  Ti  Ti14  1  0.47284254  0.64357437  0.29087212  1.0
  Ti  Ti15  1  0.52715746  0.35642563  0.29087212  1.0
  Ti  Ti16  1  0.10324027  0.58243264  0.45874543  1.0
  Ti  Ti17  1  0.89675973  0.41756736  0.45874543  1.0
  Ti  Ti18  1  0.08243264  0.39675973  0.95874543  1.0
  Ti  Ti19  1  0.91756736  0.60324027  0.95874543  1.0
  Ti  Ti20  1  0.39577073  0.91703100  0.04150502  1.0
  Ti  Ti21  1  0.60422927  0.08296900  0.04150502  1.0
  Ti  Ti22  1  0.41703100  0.10422927  0.54150502  1.0
  Ti  Ti23  1  0.58296900  0.89577073  0.54150502  1.0
  As  As24  1  0.79496374  0.96088129  0.29132902  1.0
  As  As25  1  0.20503626  0.03911871  0.29132902  1.0
  As  As26  1  0.46088129  0.70503626  0.79132902  1.0
  As  As27  1  0.53911871  0.29496374  0.79132902  1.0
  Se  Se28  1  0.70640203  0.53931577  0.20896775  1.0
  Se  Se29  1  0.29359797  0.46068423  0.20896775  1.0
  Se  Se30  1  0.03931577  0.79359797  0.70896775  1.0
  Se  Se31  1  0.96068423  0.20640203  0.70896775  1.0