# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.95117616
_cell_length_b   17.95117616
_cell_length_c   17.95117616
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr249
_cell_volume   5784.67183323
_cell_formula_units_Z   249
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  0.100316  0.100316  0.305968  1
  Zr  Zr2  1  0.100316  0.100316  0.500042  1
  Zr  Zr3  1  0.100316  0.100316  0.700591  1
  Zr  Zr4  1  0.100316  0.100316  0.894664  1
  Zr  Zr5  1  0.100316  0.305968  0.100316  1
  Zr  Zr6  1  0.100316  0.297546  0.297546  1
  Zr  Zr7  1  0.100316  0.301024  0.500654  1
  Zr  Zr8  1  0.100316  0.301024  0.699979  1
  Zr  Zr9  1  0.100316  0.297546  0.903087  1
  Zr  Zr10  1  0.100316  0.500042  0.100316  1
  Zr  Zr11  1  0.100316  0.500654  0.301024  1
  Zr  Zr12  1  0.100316  0.499449  0.499449  1
  Zr  Zr13  1  0.100316  0.499449  0.701183  1
  Zr  Zr14  1  0.100316  0.500654  0.899608  1
  Zr  Zr15  1  0.100316  0.700591  0.100316  1
  Zr  Zr16  1  0.100316  0.699979  0.301024  1
  Zr  Zr17  1  0.100316  0.701183  0.499449  1
  Zr  Zr18  1  0.100316  0.701183  0.701183  1
  Zr  Zr19  1  0.100316  0.699979  0.899608  1
  Zr  Zr20  1  0.100316  0.894664  0.100316  1
  Zr  Zr21  1  0.100316  0.903087  0.297546  1
  Zr  Zr22  1  0.100316  0.899608  0.500654  1
  Zr  Zr23  1  0.100316  0.899608  0.699979  1
  Zr  Zr24  1  0.100316  0.903087  0.903087  1
  Zr  Zr25  1  0.305968  0.100316  0.100316  1
  Zr  Zr26  1  0.297546  0.100316  0.297546  1
  Zr  Zr27  1  0.301024  0.100316  0.500654  1
  Zr  Zr28  1  0.301024  0.100316  0.699979  1
  Zr  Zr29  1  0.297546  0.100316  0.903087  1
  Zr  Zr30  1  0.297546  0.297546  0.100316  1
  Zr  Zr31  1  0.296649  0.296649  0.296649  1
  Zr  Zr32  1  0.300585  0.300585  0.501199  1
  Zr  Zr33  1  0.300585  0.300585  0.699433  1
  Zr  Zr34  1  0.296649  0.296649  0.903983  1
  Zr  Zr35  1  0.301024  0.500654  0.100316  1
  Zr  Zr36  1  0.300585  0.501199  0.300585  1
  Zr  Zr37  1  0.300286  0.499854  0.499854  1
  Zr  Zr38  1  0.300286  0.499854  0.700779  1
  Zr  Zr39  1  0.300585  0.501199  0.900047  1
  Zr  Zr40  1  0.301024  0.699979  0.100316  1
  Zr  Zr41  1  0.300585  0.699433  0.300585  1
  Zr  Zr42  1  0.300286  0.700779  0.499854  1
  Zr  Zr43  1  0.300286  0.700779  0.700779  1
  Zr  Zr44  1  0.300585  0.699433  0.900047  1
  Zr  Zr45  1  0.297546  0.903087  0.100316  1
  Zr  Zr46  1  0.296649  0.903983  0.296649  1
  Zr  Zr47  1  0.300585  0.900047  0.501199  1
  Zr  Zr48  1  0.300585  0.900047  0.699433  1
  Zr  Zr49  1  0.296649  0.903983  0.903983  1
  Zr  Zr50  1  0.500042  0.100316  0.100316  1
  Zr  Zr51  1  0.500654  0.100316  0.301024  1
  Zr  Zr52  1  0.499449  0.100316  0.499449  1
  Zr  Zr53  1  0.499449  0.100316  0.701183  1
  Zr  Zr54  1  0.500654  0.100316  0.899608  1
  Zr  Zr55  1  0.500654  0.301024  0.100316  1
  Zr  Zr56  1  0.501199  0.300585  0.300585  1
  Zr  Zr57  1  0.499854  0.300286  0.499854  1
  Zr  Zr58  1  0.499854  0.300286  0.700779  1
  Zr  Zr59  1  0.501199  0.300585  0.900047  1
  Zr  Zr60  1  0.499449  0.499449  0.100316  1
  Zr  Zr61  1  0.499854  0.499854  0.300286  1
  Zr  Zr62  1  0.499814  0.499814  0.499814  1
  Zr  Zr63  1  0.499814  0.499814  0.700819  1
  Zr  Zr64  1  0.499854  0.499854  0.900347  1
  Zr  Zr65  1  0.499449  0.701183  0.100316  1
  Zr  Zr66  1  0.499854  0.700779  0.300286  1
  Zr  Zr67  1  0.499814  0.700819  0.499814  1
  Zr  Zr68  1  0.499814  0.700819  0.700819  1
  Zr  Zr69  1  0.499854  0.700779  0.900347  1
  Zr  Zr70  1  0.500654  0.899608  0.100316  1
  Zr  Zr71  1  0.501199  0.900047  0.300585  1
  Zr  Zr72  1  0.499854  0.900347  0.499854  1
  Zr  Zr73  1  0.499854  0.900347  0.700779  1
  Zr  Zr74  1  0.501199  0.900047  0.900047  1
  Zr  Zr75  1  0.700591  0.100316  0.100316  1
  Zr  Zr76  1  0.699979  0.100316  0.301024  1
  Zr  Zr77  1  0.701183  0.100316  0.499449  1
  Zr  Zr78  1  0.701183  0.100316  0.701183  1
  Zr  Zr79  1  0.699979  0.100316  0.899608  1
  Zr  Zr80  1  0.699979  0.301024  0.100316  1
  Zr  Zr81  1  0.699433  0.300585  0.300585  1
  Zr  Zr82  1  0.700779  0.300286  0.499854  1
  Zr  Zr83  1  0.700779  0.300286  0.700779  1
  Zr  Zr84  1  0.699433  0.300585  0.900047  1
  Zr  Zr85  1  0.701183  0.499449  0.100316  1
  Zr  Zr86  1  0.700779  0.499854  0.300286  1
  Zr  Zr87  1  0.700819  0.499814  0.499814  1
  Zr  Zr88  1  0.700819  0.499814  0.700819  1
  Zr  Zr89  1  0.700779  0.499854  0.900347  1
  Zr  Zr90  1  0.701183  0.701183  0.100316  1
  Zr  Zr91  1  0.700779  0.700779  0.300286  1
  Zr  Zr92  1  0.700819  0.700819  0.499814  1
  Zr  Zr93  1  0.700819  0.700819  0.700819  1
  Zr  Zr94  1  0.700779  0.700779  0.900347  1
  Zr  Zr95  1  0.699979  0.899608  0.100316  1
  Zr  Zr96  1  0.699433  0.900047  0.300585  1
  Zr  Zr97  1  0.700779  0.900347  0.499854  1
  Zr  Zr98  1  0.700779  0.900347  0.700779  1
  Zr  Zr99  1  0.699433  0.900047  0.900047  1
  Zr  Zr100  1  0.894664  0.100316  0.100316  1
  Zr  Zr101  1  0.903087  0.100316  0.297546  1
  Zr  Zr102  1  0.899608  0.100316  0.500654  1
  Zr  Zr103  1  0.899608  0.100316  0.699979  1
  Zr  Zr104  1  0.903087  0.100316  0.903087  1
  Zr  Zr105  1  0.903087  0.297546  0.100316  1
  Zr  Zr106  1  0.903983  0.296649  0.296649  1
  Zr  Zr107  1  0.900047  0.300585  0.501199  1
  Zr  Zr108  1  0.900047  0.300585  0.699433  1
  Zr  Zr109  1  0.903983  0.296649  0.903983  1
  Zr  Zr110  1  0.899608  0.500654  0.100316  1
  Zr  Zr111  1  0.900047  0.501199  0.300585  1
  Zr  Zr112  1  0.900347  0.499854  0.499854  1
  Zr  Zr113  1  0.900347  0.499854  0.700779  1
  Zr  Zr114  1  0.900047  0.501199  0.900047  1
  Zr  Zr115  1  0.899608  0.699979  0.100316  1
  Zr  Zr116  1  0.900047  0.699433  0.300585  1
  Zr  Zr117  1  0.900347  0.700779  0.499854  1
  Zr  Zr118  1  0.900347  0.700779  0.700779  1
  Zr  Zr119  1  0.900047  0.699433  0.900047  1
  Zr  Zr120  1  0.903087  0.903087  0.100316  1
  Zr  Zr121  1  0.903983  0.903983  0.296649  1
  Zr  Zr122  1  0.900047  0.900047  0.501199  1
  Zr  Zr123  1  0.900047  0.900047  0.699433  1
  Zr  Zr124  1  0.903983  0.903983  0.903983  1
  Zr  Zr125  1  0.007915  0.007915  0.007915  1
  Zr  Zr126  1  0.007915  0.007915  0.192717  1
  Zr  Zr127  1  0.999492  0.999492  0.402156  1
  Zr  Zr128  1  0.000505  0.000505  0.600316  1
  Zr  Zr129  1  0.999492  0.999492  0.798477  1
  Zr  Zr130  1  0.007915  0.192717  0.007915  1
  Zr  Zr131  1  0.007915  0.192717  0.192717  1
  Zr  Zr132  1  0.999492  0.201141  0.402156  1
  Zr  Zr133  1  0.000505  0.200127  0.600316  1
  Zr  Zr134  1  0.999492  0.201141  0.798477  1
  Zr  Zr135  1  0.999492  0.402156  0.999492  1
  Zr  Zr136  1  0.999492  0.402156  0.201141  1
  Zr  Zr137  1  1.000057  0.398795  0.398795  1
  Zr  Zr138  1  0.000345  0.400892  0.600316  1
  Zr  Zr139  1  1.000057  0.398795  0.801837  1
  Zr  Zr140  1  0.000505  0.600316  0.000505  1
  Zr  Zr141  1  0.000505  0.600316  0.200127  1
  Zr  Zr142  1  0.000345  0.600316  0.400892  1
  Zr  Zr143  1  0.000743  0.600316  0.600316  1
  Zr  Zr144  1  0.000345  0.600316  0.799741  1
  Zr  Zr145  1  0.999492  0.798477  0.999492  1
  Zr  Zr146  1  0.999492  0.798477  0.201141  1
  Zr  Zr147  1  1.000057  0.801837  0.398795  1
  Zr  Zr148  1  0.000345  0.799741  0.600316  1
  Zr  Zr149  1  1.000057  0.801837  0.801837  1
  Zr  Zr150  1  0.192717  0.007915  0.007915  1
  Zr  Zr151  1  0.192717  0.007915  0.192717  1
  Zr  Zr152  1  0.201141  0.999492  0.402156  1
  Zr  Zr153  1  0.200127  0.000505  0.600316  1
  Zr  Zr154  1  0.201141  0.999492  0.798477  1
  Zr  Zr155  1  0.192717  0.192717  0.007915  1
  Zr  Zr156  1  0.192717  0.192717  0.192717  1
  Zr  Zr157  1  0.201141  0.201141  0.402156  1
  Zr  Zr158  1  0.200127  0.200127  0.600316  1
  Zr  Zr159  1  0.201141  0.201141  0.798477  1
  Zr  Zr160  1  0.201141  0.402156  0.999492  1
  Zr  Zr161  1  0.201141  0.402156  0.201141  1
  Zr  Zr162  1  0.200575  0.398795  0.398795  1
  Zr  Zr163  1  0.200287  0.400892  0.600316  1
  Zr  Zr164  1  0.200575  0.398795  0.801837  1
  Zr  Zr165  1  0.200127  0.600316  0.000505  1
  Zr  Zr166  1  0.200127  0.600316  0.200127  1
  Zr  Zr167  1  0.200287  0.600316  0.400892  1
  Zr  Zr168  1  0.199889  0.600316  0.600316  1
  Zr  Zr169  1  0.200287  0.600316  0.799741  1
  Zr  Zr170  1  0.201141  0.798477  0.999492  1
  Zr  Zr171  1  0.201141  0.798477  0.201141  1
  Zr  Zr172  1  0.200575  0.801837  0.398795  1
  Zr  Zr173  1  0.200287  0.799741  0.600316  1
  Zr  Zr174  1  0.200575  0.801837  0.801837  1
  Zr  Zr175  1  0.402156  0.999492  0.999492  1
  Zr  Zr176  1  0.402156  0.999492  0.201141  1
  Zr  Zr177  1  0.398795  1.000057  0.398795  1
  Zr  Zr178  1  0.400892  0.000345  0.600316  1
  Zr  Zr179  1  0.398795  1.000057  0.801837  1
  Zr  Zr180  1  0.402156  0.201141  0.999492  1
  Zr  Zr181  1  0.402156  0.201141  0.201141  1
  Zr  Zr182  1  0.398795  0.200575  0.398795  1
  Zr  Zr183  1  0.400892  0.200287  0.600316  1
  Zr  Zr184  1  0.398795  0.200575  0.801837  1
  Zr  Zr185  1  0.398795  0.398795  1.000057  1
  Zr  Zr186  1  0.398795  0.398795  0.200575  1
  Zr  Zr187  1  0.398613  0.398613  0.398613  1
  Zr  Zr188  1  0.400599  0.400599  0.600316  1
  Zr  Zr189  1  0.398613  0.398613  0.802019  1
  Zr  Zr190  1  0.400892  0.600316  0.000345  1
  Zr  Zr191  1  0.400892  0.600316  0.200287  1
  Zr  Zr192  1  0.400599  0.600316  0.400599  1
  Zr  Zr193  1  0.400218  0.600316  0.600316  1
  Zr  Zr194  1  0.400599  0.600316  0.800033  1
  Zr  Zr195  1  0.398795  0.801837  1.000057  1
  Zr  Zr196  1  0.398795  0.801837  0.200575  1
  Zr  Zr197  1  0.398613  0.802019  0.398613  1
  Zr  Zr198  1  0.400599  0.800033  0.600316  1
  Zr  Zr199  1  0.398613  0.802019  0.802019  1
  Zr  Zr200  1  0.600316  0.000505  0.000505  1
  Zr  Zr201  1  0.600316  0.000505  0.200127  1
  Zr  Zr202  1  0.600316  0.000345  0.400892  1
  Zr  Zr203  1  0.600316  0.000743  0.600316  1
  Zr  Zr204  1  0.600316  0.000345  0.799741  1
  Zr  Zr205  1  0.600316  0.200127  0.000505  1
  Zr  Zr206  1  0.600316  0.200127  0.200127  1
  Zr  Zr207  1  0.600316  0.200287  0.400892  1
  Zr  Zr208  1  0.600316  0.199889  0.600316  1
  Zr  Zr209  1  0.600316  0.200287  0.799741  1
  Zr  Zr210  1  0.600316  0.400892  0.000345  1
  Zr  Zr211  1  0.600316  0.400892  0.200287  1
  Zr  Zr212  1  0.600316  0.400599  0.400599  1
  Zr  Zr213  1  0.600316  0.400218  0.600316  1
  Zr  Zr214  1  0.600316  0.400599  0.800033  1
  Zr  Zr215  1  0.600316  0.600316  0.000743  1
  Zr  Zr216  1  0.600316  0.600316  0.199889  1
  Zr  Zr217  1  0.600316  0.600316  0.400218  1
  Zr  Zr218  1  0.600316  0.600316  0.600316  1
  Zr  Zr219  1  0.600316  0.600316  0.800415  1
  Zr  Zr220  1  0.600316  0.799741  0.000345  1
  Zr  Zr221  1  0.600316  0.799741  0.200287  1
  Zr  Zr222  1  0.600316  0.800033  0.400599  1
  Zr  Zr223  1  0.600316  0.800415  0.600316  1
  Zr  Zr224  1  0.600316  0.800033  0.800033  1
  Zr  Zr225  1  0.798477  0.999492  0.999492  1
  Zr  Zr226  1  0.798477  0.999492  0.201141  1
  Zr  Zr227  1  0.801837  1.000057  0.398795  1
  Zr  Zr228  1  0.799741  0.000345  0.600316  1
  Zr  Zr229  1  0.801837  1.000057  0.801837  1
  Zr  Zr230  1  0.798477  0.201141  0.999492  1
  Zr  Zr231  1  0.798477  0.201141  0.201141  1
  Zr  Zr232  1  0.801837  0.200575  0.398795  1
  Zr  Zr233  1  0.799741  0.200287  0.600316  1
  Zr  Zr234  1  0.801837  0.200575  0.801837  1
  Zr  Zr235  1  0.801837  0.398795  1.000057  1
  Zr  Zr236  1  0.801837  0.398795  0.200575  1
  Zr  Zr237  1  0.802019  0.398613  0.398613  1
  Zr  Zr238  1  0.800033  0.400599  0.600316  1
  Zr  Zr239  1  0.802019  0.398613  0.802019  1
  Zr  Zr240  1  0.799741  0.600316  0.000345  1
  Zr  Zr241  1  0.799741  0.600316  0.200287  1
  Zr  Zr242  1  0.800033  0.600316  0.400599  1
  Zr  Zr243  1  0.800415  0.600316  0.600316  1
  Zr  Zr244  1  0.800033  0.600316  0.800033  1
  Zr  Zr245  1  0.801837  0.801837  1.000057  1
  Zr  Zr246  1  0.801837  0.801837  0.200575  1
  Zr  Zr247  1  0.802019  0.802019  0.398613  1
  Zr  Zr248  1  0.800033  0.800033  0.600316  1
  Zr  Zr249  1  0.802019  0.802019  0.802019  1
