# generated using pymatgen
data_Ti24PSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.04394845
_cell_length_b   10.06534333
_cell_length_c   5.10260589
_cell_angle_alpha   89.91234661
_cell_angle_beta   89.98882174
_cell_angle_gamma   89.97204008
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti24PSe7
_chemical_formula_sum   'Ti24 P1 Se7'
_cell_volume   515.85129688
_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  0.97231462  0.85352604  0.28565568  1.0
  Ti  Ti1  1  0.35640069  0.52616235  0.78824832  1.0
  Ti  Ti2  1  0.64437853  0.47378377  0.78558304  1.0
  Ti  Ti3  1  0.02601641  0.14367692  0.28827458  1.0
  Ti  Ti4  1  0.52544488  0.64366555  0.21369935  1.0
  Ti  Ti5  1  0.13972869  0.96756851  0.71505323  1.0
  Ti  Ti6  1  0.85743502  0.02029434  0.71365517  1.0
  Ti  Ti7  1  0.47425630  0.35754274  0.21239227  1.0
  Ti  Ti8  1  0.81690057  0.28490838  0.01260352  1.0
  Ti  Ti9  1  0.78853372  0.68446884  0.51653188  1.0
  Ti  Ti10  1  0.21482854  0.31664022  0.51277566  1.0
  Ti  Ti11  1  0.17864071  0.71606846  0.00980913  1.0
  Ti  Ti12  1  0.68405758  0.21563092  0.48713551  1.0
  Ti  Ti13  1  0.71884789  0.81623369  0.98507082  1.0
  Ti  Ti14  1  0.28486222  0.18312846  0.98728618  1.0
  Ti  Ti15  1  0.31672806  0.78502644  0.48822838  1.0
  Ti  Ti16  1  0.91659106  0.39758647  0.54621333  1.0
  Ti  Ti17  1  0.89918655  0.58787713  0.03140162  1.0
  Ti  Ti18  1  0.10347088  0.41582843  0.03840900  1.0
  Ti  Ti19  1  0.08133291  0.60726375  0.55294951  1.0
  Ti  Ti20  1  0.58435930  0.10239886  0.95617100  1.0
  Ti  Ti21  1  0.60326550  0.91618609  0.45777734  1.0
  Ti  Ti22  1  0.39731125  0.08402049  0.45636041  1.0
  Ti  Ti23  1  0.41607522  0.89775729  0.95819886  1.0
  P  P24  1  0.96065908  0.79484020  0.78823183  1.0
  Se  Se25  1  0.46242919  0.29420757  0.71024387  1.0
  Se  Se26  1  0.79439072  0.03802307  0.21151812  1.0
  Se  Se27  1  0.20516620  0.96184941  0.21257374  1.0
  Se  Se28  1  0.53860037  0.70643707  0.71196877  1.0
  Se  Se29  1  0.03780840  0.20387372  0.78912086  1.0
  Se  Se30  1  0.70823624  0.46426103  0.28669148  1.0
  Se  Se31  1  0.29174269  0.53926480  0.29016755  1.0