# generated using pymatgen
data_ZrCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81788100
_cell_length_b   9.74589112
_cell_length_c   53.77159981
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu5
_chemical_formula_sum   'Zr20 Cu100'
_cell_volume   3572.92524249
_cell_formula_units_Z   20
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  0.492974  0.583509  0.292538  1
  Zr  Zr2  1  0.016914  0.833509  0.330556  1
  Zr  Zr3  1  0.016914  0.333509  0.330556  1
  Zr  Zr4  1  0.492974  0.083509  0.292538  1
  Zr  Zr5  1  0.503246  0.083509  0.376955  1
  Zr  Zr6  1  0.006792  0.333509  0.422745  1
  Zr  Zr7  1  0.006792  0.833509  0.422745  1
  Zr  Zr8  1  0.503246  0.583509  0.376955  1
  Zr  Zr9  1  0.506186  0.583509  0.468043  1
  Zr  Zr10  1  0.006189  0.833509  0.513776  1
  Zr  Zr11  1  0.006189  0.333509  0.513776  1
  Zr  Zr12  1  0.506186  0.083509  0.468043  1
  Zr  Zr13  1  0.506443  0.083509  0.559069  1
  Zr  Zr14  1  1.004162  0.333509  0.604878  1
  Zr  Zr15  1  1.004162  0.833509  0.604878  1
  Zr  Zr16  1  0.506443  0.583509  0.559069  1
  Zr  Zr17  1  0.512788  0.583509  0.651611  1
  Zr  Zr18  1  0.990365  0.833509  0.691548  1
  Zr  Zr19  1  0.990365  0.333509  0.691548  1
  Zr  Zr20  1  0.512788  0.083509  0.651611  1
  Cu  Cu21  1  0.763503  0.833509  0.292131  1
  Cu  Cu22  1  0.385551  0.833509  0.306767  1
  Cu  Cu23  1  0.631278  0.455522  0.332251  1
  Cu  Cu24  1  0.631278  0.711497  0.332251  1
  Cu  Cu25  1  0.379724  0.333509  0.353151  1
  Cu  Cu26  1  0.250549  0.083509  0.332216  1
  Cu  Cu27  1  0.885214  0.083509  0.353719  1
  Cu  Cu28  1  0.125532  0.209037  0.285631  1
  Cu  Cu29  1  0.125532  0.457982  0.285631  1
  Cu  Cu30  1  0.882891  0.083509  0.307062  1
  Cu  Cu31  1  0.250549  0.583509  0.332216  1
  Cu  Cu32  1  0.885214  0.583509  0.353719  1
  Cu  Cu33  1  0.125532  0.709037  0.285631  1
  Cu  Cu34  1  0.125532  0.957982  0.285631  1
  Cu  Cu35  1  0.882891  0.583509  0.307062  1
  Cu  Cu36  1  0.763503  0.333509  0.292131  1
  Cu  Cu37  1  0.385551  0.333509  0.306767  1
  Cu  Cu38  1  0.631278  0.955522  0.332251  1
  Cu  Cu39  1  0.631278  0.211497  0.332251  1
  Cu  Cu40  1  0.379724  0.833509  0.353151  1
  Cu  Cu41  1  0.758033  0.333509  0.377058  1
  Cu  Cu42  1  0.383660  0.333509  0.399587  1
  Cu  Cu43  1  0.629122  0.957573  0.422401  1
  Cu  Cu44  1  0.629122  0.209445  0.422401  1
  Cu  Cu45  1  0.383538  0.833509  0.445019  1
  Cu  Cu46  1  0.256076  0.583509  0.422513  1
  Cu  Cu47  1  0.883225  0.583509  0.445439  1
  Cu  Cu48  1  0.128198  0.707971  0.376928  1
  Cu  Cu49  1  0.128198  0.959047  0.376928  1
  Cu  Cu50  1  0.882543  0.583509  0.399417  1
  Cu  Cu51  1  0.256076  0.083509  0.422513  1
  Cu  Cu52  1  0.883225  0.083509  0.445439  1
  Cu  Cu53  1  0.128198  0.207971  0.376928  1
  Cu  Cu54  1  0.128198  0.459047  0.376928  1
  Cu  Cu55  1  0.882543  0.083509  0.399417  1
  Cu  Cu56  1  0.758033  0.833509  0.377058  1
  Cu  Cu57  1  0.383660  0.833509  0.399587  1
  Cu  Cu58  1  0.629122  0.457573  0.422401  1
  Cu  Cu59  1  0.629122  0.709445  0.422401  1
  Cu  Cu60  1  0.383538  0.333509  0.445019  1
  Cu  Cu61  1  0.756355  0.833509  0.468118  1
  Cu  Cu62  1  0.383275  0.833509  0.491065  1
  Cu  Cu63  1  0.629192  0.457593  0.513673  1
  Cu  Cu64  1  0.629192  0.709426  0.513673  1
  Cu  Cu65  1  0.383208  0.333509  0.536342  1
  Cu  Cu66  1  0.256330  0.083509  0.513686  1
  Cu  Cu67  1  0.883577  0.083509  0.536752  1
  Cu  Cu68  1  0.129191  0.207591  0.468132  1
  Cu  Cu69  1  0.129191  0.459428  0.468132  1
  Cu  Cu70  1  0.883252  0.083509  0.490721  1
  Cu  Cu71  1  0.256330  0.583509  0.513686  1
  Cu  Cu72  1  0.883577  0.583509  0.536752  1
  Cu  Cu73  1  0.129191  0.707591  0.468132  1
  Cu  Cu74  1  0.129191  0.959428  0.468132  1
  Cu  Cu75  1  0.883252  0.583509  0.490721  1
  Cu  Cu76  1  0.756355  0.333509  0.468118  1
  Cu  Cu77  1  0.383275  0.333509  0.491065  1
  Cu  Cu78  1  0.629192  0.957593  0.513673  1
  Cu  Cu79  1  0.629192  0.209426  0.513673  1
  Cu  Cu80  1  0.383208  0.833509  0.536342  1
  Cu  Cu81  1  0.756103  0.333509  0.559339  1
  Cu  Cu82  1  0.383059  0.333509  0.582310  1
  Cu  Cu83  1  0.628071  0.958138  0.604931  1
  Cu  Cu84  1  0.628071  0.208881  0.604931  1
  Cu  Cu85  1  0.384252  0.833509  0.627916  1
  Cu  Cu86  1  0.257788  0.583509  0.604871  1
  Cu  Cu87  1  0.881238  0.583509  0.628396  1
  Cu  Cu88  1  0.129176  0.707600  0.559413  1
  Cu  Cu89  1  0.129176  0.959419  0.559413  1
  Cu  Cu90  1  0.883417  0.583509  0.582089  1
  Cu  Cu91  1  0.257788  0.083509  0.604871  1
  Cu  Cu92  1  0.881238  0.083509  0.628396  1
  Cu  Cu93  1  0.129176  0.207600  0.559413  1
  Cu  Cu94  1  0.129176  0.459419  0.559413  1
  Cu  Cu95  1  0.883417  0.083509  0.582089  1
  Cu  Cu96  1  0.756103  0.833509  0.559339  1
  Cu  Cu97  1  0.383059  0.833509  0.582310  1
  Cu  Cu98  1  0.628071  0.458138  0.604931  1
  Cu  Cu99  1  0.628071  0.708881  0.604931  1
  Cu  Cu100  1  0.384252  0.333509  0.627916  1
  Cu  Cu101  1  0.753061  0.833509  0.649387  1
  Cu  Cu102  1  0.390248  0.833509  0.673901  1
  Cu  Cu103  1  0.623595  0.460312  0.698730  1
  Cu  Cu104  1  0.623595  0.706707  0.698730  1
  Cu  Cu105  1  0.316770  0.333509  0.716925  1
  Cu  Cu106  1  0.259465  0.083509  0.692313  1
  Cu  Cu107  1  0.936411  0.083509  0.717868  1
  Cu  Cu108  1  0.130793  0.206220  0.650176  1
  Cu  Cu109  1  0.130793  0.460799  0.650176  1
  Cu  Cu110  1  0.877440  0.083509  0.673805  1
  Cu  Cu111  1  0.259465  0.583509  0.692313  1
  Cu  Cu112  1  0.936411  0.583509  0.717868  1
  Cu  Cu113  1  0.130793  0.706220  0.650176  1
  Cu  Cu114  1  0.130793  0.960799  0.650176  1
  Cu  Cu115  1  0.877440  0.583509  0.673805  1
  Cu  Cu116  1  0.753061  0.333509  0.649387  1
  Cu  Cu117  1  0.390248  0.333509  0.673901  1
  Cu  Cu118  1  0.623595  0.960312  0.698730  1
  Cu  Cu119  1  0.623595  0.206707  0.698730  1
  Cu  Cu120  1  0.316770  0.833509  0.716925  1
