# generated using pymatgen
data_Ti20Se19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.15555349
_cell_length_b   9.27267583
_cell_length_c   7.34910686
_cell_angle_alpha   69.76634097
_cell_angle_beta   62.18492948
_cell_angle_gamma   42.23642367
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti20Se19
_chemical_formula_sum   'Ti20 Se19'
_cell_volume   695.04765456
_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  0.17219500  0.19287000  0.00503000  1.0
  Ti  Ti1  1  0.02549000  0.30729300  0.50767100  1.0
  Ti  Ti2  1  0.37180800  0.19237300  0.00678200  1.0
  Ti  Ti3  1  0.22602100  0.30500500  0.50702300  1.0
  Ti  Ti4  1  0.17187400  0.69641800  0.49377800  1.0
  Ti  Ti5  1  0.02788700  0.80597000  0.99442900  1.0
  Ti  Ti6  1  0.57258500  0.18958900  0.00598900  1.0
  Ti  Ti7  1  0.42780600  0.30516600  0.50682700  1.0
  Ti  Ti8  1  0.37491700  0.69266000  0.49333600  1.0
  Ti  Ti9  1  0.22947300  0.80674600  0.99382100  1.0
  Ti  Ti10  1  0.77082300  0.19248000  0.00649900  1.0
  Ti  Ti11  1  0.62741700  0.30280800  0.50731300  1.0
  Ti  Ti12  1  0.57501100  0.69301400  0.49518200  1.0
  Ti  Ti13  1  0.43114100  0.80397800  0.99316200  1.0
  Ti  Ti14  1  0.96977800  0.20028400  0.00115800  1.0
  Ti  Ti15  1  0.82553400  0.31096400  0.50541300  1.0
  Ti  Ti16  1  0.77206200  0.69327500  0.49445700  1.0
  Ti  Ti17  1  0.62962200  0.80271400  0.99002600  1.0
  Ti  Ti18  1  0.97236200  0.69526200  0.49190200  1.0
  Ti  Ti19  1  0.83119800  0.80308400  0.99036900  1.0
  Se  Se20  1  0.05895400  0.08534500  0.28119100  1.0
  Se  Se21  1  0.26188600  0.07729700  0.28454500  1.0
  Se  Se22  1  0.02046600  0.42616700  0.78923300  1.0
  Se  Se23  1  0.17529100  0.57853900  0.21541700  1.0
  Se  Se24  1  0.22423700  0.42216900  0.78384500  1.0
  Se  Se25  1  0.46424100  0.07403800  0.28354800  1.0
  Se  Se26  1  0.37645400  0.57720600  0.21562400  1.0
  Se  Se27  1  0.13728800  0.92274400  0.71729600  1.0
  Se  Se28  1  0.66366400  0.07347200  0.28304500  1.0
  Se  Se29  1  0.42420500  0.42118600  0.78585400  1.0
  Se  Se30  1  0.57925800  0.57672200  0.21677600  1.0
  Se  Se31  1  0.33946500  0.92067400  0.71443200  1.0
  Se  Se32  1  0.62447500  0.42098100  0.78536200  1.0
  Se  Se33  1  0.86120400  0.08539700  0.28164800  1.0
  Se  Se34  1  0.53883200  0.92083400  0.71482900  1.0
  Se  Se35  1  0.82231000  0.42626000  0.79124500  1.0
  Se  Se36  1  0.97255500  0.57822400  0.21509600  1.0
  Se  Se37  1  0.73951400  0.91692400  0.71535500  1.0
  Se  Se38  1  0.93670000  0.92386700  0.71549300  1.0