# generated using pymatgen
data_Ba14LiY7(Cu10O21)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.24872826
_cell_length_b   8.65340334
_cell_length_c   12.73221426
_cell_angle_alpha   74.25078323
_cell_angle_beta   84.50167985
_cell_angle_gamma   98.22050648
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba14LiY7(Cu10O21)2
_chemical_formula_sum   'Ba14 Li1 Y7 Cu20 O42'
_cell_volume   1272.61633060
_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
  Ba  Ba0  1  0.18608738  0.05816309  0.19745895  1
  Ba  Ba1  1  0.04307580  0.62797250  0.19757006  1
  Ba  Ba2  1  0.32816772  0.48653668  0.19558131  1
  Ba  Ba3  1  0.52845322  0.08401337  0.80447026  1
  Ba  Ba4  1  0.61605300  0.34571151  0.19549999  1
  Ba  Ba5  1  0.24151828  0.22669864  0.80463393  1
  Ba  Ba6  1  0.90033364  0.20241286  0.19750338  1
  Ba  Ba7  1  0.75727191  0.77287956  0.19738734  1
  Ba  Ba8  1  0.38502813  0.65473791  0.80491031  1
  Ba  Ba9  1  0.09954896  0.79907523  0.80349278  1
  Ba  Ba10  1  0.95666416  0.36875435  0.80349724  1
  Ba  Ba11  1  0.47250844  0.91662061  0.19483332  1
  Ba  Ba12  1  0.67076087  0.51240048  0.80336496  1
  Ba  Ba13  1  0.81405533  0.94239210  0.80355750  1
  Li  Li14  1  0.95141545  0.85439334  0.33987557  1
  Y  Y15  1  0.57148875  0.21556530  0.50051372  1
  Y  Y16  1  0.28553268  0.35541202  0.50051432  1
  Y  Y17  1  0.99882415  0.50619644  0.49764122  1
  Y  Y18  1  0.85894096  0.06726955  0.49762319  1
  Y  Y19  1  0.42843630  0.78533268  0.50086844  1
  Y  Y20  1  0.13927464  0.92669537  0.49754655  1
  Y  Y21  1  0.71862233  0.64680177  0.49748743  1
  Cu  Cu22  1  0.99941098  0.99816085  0.00430190  1
  Cu  Cu23  1  0.71401716  0.14276264  0.00026129  1
  Cu  Cu24  1  0.14297637  0.42902714  -0.00063352  1
  Cu  Cu25  1  0.42832585  0.28512175  0.00027178  1
  Cu  Cu26  1  0.33775753  0.01411050  0.63291133  1
  Cu  Cu27  1  0.37684306  0.12769717  0.36689529  1
  Cu  Cu28  1  0.05241215  0.15910941  0.63183193  1
  Cu  Cu29  1  0.08995623  0.26888479  0.37113689  1
  Cu  Cu30  1  0.80404673  0.41300066  0.37132316  1
  Cu  Cu31  1  0.23269217  0.69854082  0.37044949  1
  Cu  Cu32  1  0.76699400  0.29928190  0.63223745  1
  Cu  Cu33  1  0.48144169  0.44335099  0.63276077  1
  Cu  Cu34  1  0.28603486  0.85734042  -0.00054401  1
  Cu  Cu35  1  0.85736445  0.57163978  -0.00108858  1
  Cu  Cu36  1  0.57143819  0.71465031  0.00045818  1
  Cu  Cu37  1  0.51838462  0.55779191  0.36686018  1
  Cu  Cu38  1  0.19519889  0.58562830  0.63377077  1
  Cu  Cu39  1  0.90874282  0.72632852  0.63833497  1
  Cu  Cu40  1  0.62375322  0.87157018  0.63371705  1
  Cu  Cu41  1  0.66144410  0.98408336  0.37054156  1
  O  O42  1  0.01824287  0.05358642  0.38220367  1
  O  O43  1  0.23388307  0.19321533  0.37951729  1
  O  O44  1  0.12143344  0.36458809  0.14847810  1
  O  O45  1  0.02074782  0.06202591  0.85525054  1
  O  O46  1  0.69329032  0.07920761  0.14826107  1
  O  O47  1  0.51788947  0.05056869  0.38179601  1
  O  O48  1  0.19711944  0.09153330  0.61981198  1
  O  O49  1  0.40729880  0.22215220  0.14868218  1
  O  O50  1  0.69673027  0.09094855  0.61888771  1
  O  O51  1  0.44563704  0.33688377  0.38060686  1
  O  O52  1  0.73216860  0.19841385  0.37887002  1
  O  O53  1  0.15960099  0.47674830  0.37885701  1
  O  O54  1  0.41145388  0.23435295  0.62004872  1
  O  O55  1  0.12624595  0.37808577  0.61889562  1
  O  O56  1  0.94584993  0.33779931  0.37841514  1
  O  O57  1  0.37296765  0.62218329  0.38180823  1
  O  O58  1  0.16430488  0.49249106  0.85033404  1
  O  O59  1  0.09218886  0.76260378  0.38210407  1
  O  O60  1  0.65765001  0.48142116  0.37959801  1
  O  O61  1  0.55021622  0.65013056  0.14933761  1
  O  O62  1  0.33991404  0.51970788  0.62054451  1
  O  O63  1  0.83632566  0.50868023  0.14722766  1
  O  O64  1  0.62566371  0.37732647  0.61979825  1
  O  O65  1  0.05329201  0.66294321  0.62119616  1
  O  O66  1  0.91165639  0.23453925  0.61930846  1
  O  O67  1  0.73547068  0.20672255  0.85121050  1
  O  O68  1  0.26436380  0.79377050  0.14795412  1
  O  O69  1  0.44966035  0.34940655  0.85163393  1
  O  O70  1  0.84029673  0.52055290  0.62111040  1
  O  O71  1  0.87242624  0.61847446  0.38227571  1
  O  O72  1  0.30389236  0.91001414  0.37741484  1
  O  O73  1  0.26914273  0.80629670  0.61808074  1
  O  O74  1  0.58812323  0.76590762  0.37743229  1
  O  O75  1  0.55436887  0.66422245  0.61811818  1
  O  O76  1  0.87852460  0.63537067  0.85090050  1
  O  O77  1  0.79880809  0.90984031  0.38218009  1
  O  O78  1  0.97783615  0.93359624  0.15493824  1
  O  O79  1  0.59257618  0.77795383  0.85134552  1
  O  O80  1  0.30705857  0.92102794  0.85109020  1
  O  O81  1  0.48295241  0.94840496  0.62049266  1
  O  O82  1  0.76904071  0.80472051  0.62124127  1
  O  O83  1  0.98238975  0.94746400  0.62111322  1
