# generated using pymatgen
data_La39Se56
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88348528
_cell_length_b   7.88648989
_cell_length_c   55.10618151
_cell_angle_alpha   109.34806974
_cell_angle_beta   109.68223318
_cell_angle_gamma   109.39775146
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La39Se56
_chemical_formula_sum   'La39 Se56'
_cell_volume   2636.93878106
_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
  La  La0  1  0.13022137  0.75209567  0.98285859  1.0
  La  La1  1  0.12241000  0.74781804  0.83880334  1.0
  La  La2  1  0.24898076  0.62355779  0.91013420  1.0
  La  La3  1  0.37563989  0.25118368  0.94648670  1.0
  La  La4  1  0.24945408  0.62532752  0.76791826  1.0
  La  La5  1  0.12666744  0.75082015  0.69684187  1.0
  La  La6  1  0.62398416  0.37414737  0.89217349  1.0
  La  La7  1  0.37430386  0.24976457  0.80349303  1.0
  La  La8  1  0.74738157  0.87027435  0.87401209  1.0
  La  La9  1  0.12196386  0.74951568  0.55264090  1.0
  La  La10  1  0.87689128  0.12619594  0.96445806  1.0
  La  La11  1  0.25237807  0.63013018  0.62607880  1.0
  La  La12  1  0.75075361  0.87596125  0.73259304  1.0
  La  La13  1  0.37570369  0.25070142  0.66115480  1.0
  La  La14  1  0.62465328  0.37481245  0.75018620  1.0
  La  La15  1  0.87406665  0.12495876  0.82109830  1.0
  La  La16  1  0.23738676  0.61448659  0.47799885  1.0
  La  La17  1  0.36772882  0.24855823  0.51604582  1.0
  La  La18  1  0.75197008  0.87737477  0.58959214  1.0
  La  La19  1  0.62856755  0.37702941  0.60758013  1.0
  La  La20  1  0.87972728  0.12885546  0.67912379  1.0
  La  La21  1  0.23532876  0.61995448  0.33819010  1.0
  La  La22  1  0.73722391  0.85510399  0.44155260  1.0
  La  La23  1  0.36053067  0.24280715  0.37213016  1.0
  La  La24  1  0.60767917  0.34882238  0.46098328  1.0
  La  La25  1  0.87586781  0.12403439  0.53531196  1.0
  La  La26  1  0.24380426  0.63376899  0.19782359  1.0
  La  La27  1  0.74662280  0.86904047  0.30133310  1.0
  La  La28  1  0.37816569  0.25013794  0.23280193  1.0
  La  La29  1  0.62339662  0.36282470  0.32118032  1.0
  La  La30  1  0.87910652  0.12681262  0.39184403  1.0
  La  La31  1  0.25165812  0.64069795  0.05771427  1.0
  La  La32  1  0.75247852  0.88058401  0.16120946  1.0
  La  La33  1  0.39150802  0.25774348  0.09312764  1.0
  La  La34  1  0.62694998  0.36917282  0.18027712  1.0
  La  La35  1  0.88599768  0.13626870  0.25127114  1.0
  La  La36  1  0.75453863  0.88418595  0.01906908  1.0
  La  La37  1  0.63902745  0.38623573  0.03875177  1.0
  La  La38  1  0.89299526  0.14000982  0.11060570  1.0
  Se  Se39  1  0.99934954  0.85036448  0.92847145  1.0
  Se  Se40  1  0.99888761  0.35013381  0.92843233  1.0
  Se  Se41  1  0.49864665  0.00081716  0.97773958  1.0
  Se  Se42  1  0.00011571  0.84886731  0.78579524  1.0
  Se  Se43  1  0.15062562  0.15102205  0.87884720  1.0
  Se  Se44  1  0.00028174  0.34883460  0.78575178  1.0
  Se  Se45  1  0.34904289  0.50069866  0.85735039  1.0
  Se  Se46  1  0.64747211  0.64784540  0.94934380  1.0
  Se  Se47  1  0.99905638  0.84884776  0.64289615  1.0
  Se  Se48  1  0.99976411  0.34837077  0.64278124  1.0
  Se  Se49  1  0.15039247  0.15035414  0.73582171  1.0
  Se  Se50  1  0.50071282  0.00042036  0.90699936  1.0
  Se  Se51  1  0.34876638  0.50015147  0.71419912  1.0
  Se  Se52  1  0.65140253  0.65116484  0.80742689  1.0
  Se  Se53  1  0.50026968  0.00037144  0.83570117  1.0
  Se  Se54  1  0.00431697  0.85776855  0.50115520  1.0
  Se  Se55  1  0.84901332  0.49990911  0.85726443  1.0
  Se  Se56  1  0.49919266  0.99923731  0.76409006  1.0
  Se  Se57  1  0.15365254  0.15336024  0.59356393  1.0
  Se  Se58  1  0.00381397  0.35916950  0.50125354  1.0
  Se  Se59  1  0.35424991  0.50144296  0.57188230  1.0
  Se  Se60  1  0.65082344  0.65063568  0.66429281  1.0
  Se  Se61  1  0.49918888  0.99984727  0.69261732  1.0
  Se  Se62  1  0.99619745  0.85471535  0.35600954  1.0
  Se  Se63  1  0.84830023  0.49908896  0.71417875  1.0
  Se  Se64  1  0.50022269  0.00012243  0.62154505  1.0
  Se  Se65  1  0.15846206  0.16482393  0.45283667  1.0
  Se  Se66  1  0.00132356  0.34383809  0.35738343  1.0
  Se  Se67  1  0.35889902  0.49822796  0.42966438  1.0
  Se  Se68  1  0.50386942  0.00401502  0.55146289  1.0
  Se  Se69  1  0.65673891  0.65869209  0.52294183  1.0
  Se  Se70  1  0.99367617  0.85175428  0.21243919  1.0
  Se  Se71  1  0.85467738  0.50170298  0.57198922  1.0
  Se  Se72  1  0.51292166  0.00915167  0.48172258  1.0
  Se  Se73  1  0.15552173  0.15799073  0.30810703  1.0
  Se  Se74  1  0.99960366  0.34155781  0.21363976  1.0
  Se  Se75  1  0.35976726  0.49426311  0.28650543  1.0
  Se  Se76  1  0.50386839  0.00221095  0.40721899  1.0
  Se  Se77  1  0.63648108  0.64761834  0.37771791  1.0
  Se  Se78  1  0.99318980  0.85180686  0.06953461  1.0
  Se  Se79  1  0.84638995  0.50214782  0.42975104  1.0
  Se  Se80  1  0.14889052  0.15213052  0.16430177  1.0
  Se  Se81  1  0.50831309  0.00414680  0.33808005  1.0
  Se  Se82  1  0.99446477  0.33555587  0.06948338  1.0
  Se  Se83  1  0.35708013  0.49267736  0.14307440  1.0
  Se  Se84  1  0.50289002  0.00143381  0.26363389  1.0
  Se  Se85  1  0.63277416  0.64323553  0.23396994  1.0
  Se  Se86  1  0.84260858  0.49844751  0.28585770  1.0
  Se  Se87  1  0.50918111  0.00421602  0.19450884  1.0
  Se  Se88  1  0.14428625  0.14111453  0.01925171  1.0
  Se  Se89  1  0.35195960  0.49709520  0.99943868  1.0
  Se  Se90  1  0.50072596  0.99846043  0.11969040  1.0
  Se  Se91  1  0.63260222  0.63903672  0.09076653  1.0
  Se  Se92  1  0.84153229  0.49553125  0.14213536  1.0
  Se  Se93  1  0.49503032  0.99577766  0.04841717  1.0
  Se  Se94  1  0.84979872  0.49600273  0.99904420  1.0