# generated using pymatgen
data_La6Ti3Se9O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92825922
_cell_length_b   11.25711979
_cell_length_c   22.50907522
_cell_angle_alpha   96.96936165
_cell_angle_beta   94.99360807
_cell_angle_gamma   89.98818759
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La6Ti3Se9O5
_chemical_formula_sum   'La12 Ti6 Se18 O10'
_cell_volume   984.21252150
_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
  La  La0  1  0.36792200  0.34796900  0.72522700  1.0
  La  La1  1  0.46856000  0.25348200  0.92597800  1.0
  La  La2  1  0.53725000  0.74370100  0.07392300  1.0
  La  La3  1  0.89017700  0.98674200  0.77635100  1.0
  La  La4  1  0.95839600  0.74522600  0.91896300  1.0
  La  La5  1  0.79487800  0.53830400  0.57853700  1.0
  La  La6  1  0.63411600  0.64987700  0.27544500  1.0
  La  La7  1  0.04255000  0.25094700  0.08048500  1.0
  La  La8  1  0.21583400  0.46058500  0.42233100  1.0
  La  La9  1  0.78425600  0.99354000  0.57755300  1.0
  La  La10  1  0.21122600  0.00603400  0.42359000  1.0
  La  La11  1  0.10641400  0.01119800  0.22405900  1.0
  Ti  Ti12  1  0.27079700  0.25899200  0.53982200  1.0
  Ti  Ti13  1  0.64406300  0.34258700  0.28351800  1.0
  Ti  Ti14  1  0.35922300  0.65497400  0.71650400  1.0
  Ti  Ti15  1  0.00724500  0.49871000  0.99991000  1.0
  Ti  Ti16  1  0.72996300  0.74123200  0.46147800  1.0
  Ti  Ti17  1  0.49505300  0.99866500  0.99962000  1.0
  Se  Se18  1  0.58593300  0.18421600  0.18182300  1.0
  Se  Se19  1  0.41322200  0.81401200  0.81853400  1.0
  Se  Se20  1  0.27303800  0.76540500  0.54495000  1.0
  Se  Se21  1  0.16223200  0.22429200  0.32738300  1.0
  Se  Se22  1  0.95908900  0.02819700  0.91912500  1.0
  Se  Se23  1  0.91675200  0.25268500  0.81490100  1.0
  Se  Se24  1  0.18896800  0.71701000  0.37957500  1.0
  Se  Se25  1  0.10646200  0.44573000  0.22461200  1.0
  Se  Se26  1  0.73186300  0.23526400  0.45606200  1.0
  Se  Se27  1  0.65277600  0.93800600  0.31284000  1.0
  Se  Se28  1  0.03598200  0.96928700  0.08057200  1.0
  Se  Se29  1  0.83667300  0.77420000  0.67322900  1.0
  Se  Se30  1  0.46479900  0.52317200  0.91768800  1.0
  Se  Se31  1  0.09244100  0.74445400  0.18521900  1.0
  Se  Se32  1  0.34139700  0.06170200  0.68813200  1.0
  Se  Se33  1  0.88567800  0.55185300  0.77521500  1.0
  Se  Se34  1  0.54579900  0.47324600  0.08125500  1.0
  Se  Se35  1  0.81318900  0.28134600  0.62120500  1.0
  O  O36  1  0.27158400  0.43017800  0.53198300  1.0
  O  O37  1  0.99350600  0.32692000  0.97710000  1.0
  O  O38  1  0.48299100  0.82612900  0.97324400  1.0
  O  O39  1  0.26682300  0.08168000  0.53690400  1.0
  O  O40  1  0.73333000  0.91920600  0.46458300  1.0
  O  O41  1  0.66632700  0.46821300  0.34262500  1.0
  O  O42  1  0.01258700  0.66939300  0.02266400  1.0
  O  O43  1  0.73695400  0.57021300  0.46849700  1.0
  O  O44  1  0.51391000  0.17013200  0.02602600  1.0
  O  O45  1  0.32900400  0.53079600  0.65745100  1.0