# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89159780
_cell_length_b   4.62803738
_cell_length_c   47.49609254
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.67858422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr27 Cu27'
_cell_volume   2124.22534354
_cell_formula_units_Z   27
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
  Zr  Zr1  1  0.786568  0.107995  0.318784  1
  Zr  Zr2  1  0.154372  0.402648  0.290489  1
  Zr  Zr3  1  0.469087  0.253670  0.304171  1
  Zr  Zr4  1  0.726603  0.677809  0.366196  1
  Zr  Zr5  1  0.100540  0.961239  0.334402  1
  Zr  Zr6  1  0.414655  0.819889  0.350336  1
  Zr  Zr7  1  0.670824  0.246838  0.414480  1
  Zr  Zr8  1  0.040820  0.533760  0.381830  1
  Zr  Zr9  1  0.357491  0.390036  0.398958  1
  Zr  Zr10  1  0.613263  0.816956  0.462193  1
  Zr  Zr11  1  0.984469  0.103913  0.430131  1
  Zr  Zr12  1  0.298706  0.961015  0.446466  1
  Zr  Zr13  1  0.555147  0.387609  0.509977  1
  Zr  Zr14  1  0.926791  0.673942  0.477903  1
  Zr  Zr15  1  0.241052  0.530693  0.493890  1
  Zr  Zr16  1  0.497306  0.958389  0.557832  1
  Zr  Zr17  1  0.869066  0.244276  0.525657  1
  Zr  Zr18  1  0.183153  0.100460  0.541257  1
  Zr  Zr19  1  0.442087  0.526673  0.606108  1
  Zr  Zr20  1  0.811692  0.814406  0.573427  1
  Zr  Zr21  1  0.124681  0.671427  0.589113  1
  Zr  Zr22  1  0.382033  0.095240  0.652190  1
  Zr  Zr23  1  0.754774  0.381952  0.621838  1
  Zr  Zr24  1  0.065769  0.241930  0.637890  1
  Zr  Zr25  1  0.327562  0.666263  0.698379  1
  Zr  Zr26  1  0.696927  0.946205  0.669093  1
  Zr  Zr27  1  0.012671  0.807335  0.683937  1
  Cu  Cu28  1  0.628577  0.675424  0.310818  1
  Cu  Cu29  1  0.934831  0.535977  0.326468  1
  Cu  Cu30  1  0.318807  0.819247  0.295262  1
  Cu  Cu31  1  0.572306  0.247976  0.358683  1
  Cu  Cu32  1  0.884035  0.105764  0.374407  1
  Cu  Cu33  1  0.259000  0.390435  0.343937  1
  Cu  Cu34  1  0.513508  0.818454  0.406667  1
  Cu  Cu35  1  0.827760  0.675291  0.422108  1
  Cu  Cu36  1  0.199943  0.961954  0.390813  1
  Cu  Cu37  1  0.456599  0.388645  0.454330  1
  Cu  Cu38  1  0.769958  0.245363  0.470046  1
  Cu  Cu39  1  0.140871  0.532675  0.437845  1
  Cu  Cu40  1  0.399050  0.959070  0.502047  1
  Cu  Cu41  1  0.711895  0.816106  0.517916  1
  Cu  Cu42  1  0.083125  0.102401  0.485782  1
  Cu  Cu43  1  0.340777  0.528993  0.550023  1
  Cu  Cu44  1  0.654784  0.385939  0.565682  1
  Cu  Cu45  1  0.025798  0.672824  0.533589  1
  Cu  Cu46  1  0.280239  0.100120  0.596686  1
  Cu  Cu47  1  0.599866  0.953807  0.613123  1
  Cu  Cu48  1  0.968973  0.242852  0.581311  1
  Cu  Cu49  1  0.222684  0.668841  0.644371  1
  Cu  Cu50  1  0.548583  0.513126  0.664414  1
  Cu  Cu51  1  0.909992  0.811988  0.629160  1
  Cu  Cu52  1  0.173017  0.240329  0.692780  1
  Cu  Cu53  1  0.473643  0.106954  0.705080  1
  Cu  Cu54  1  0.851878  0.383298  0.677517  1
