# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05453897
_cell_length_b   11.24774165
_cell_length_c   49.29908539
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr54
_cell_volume   2731.79148158
_cell_formula_units_Z   54
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  0.654298  0.879838  0.288073  1
  Zr  Zr2  1  0.807872  0.187830  0.304321  1
  Zr  Zr3  1  0.962682  0.498091  0.320966  1
  Zr  Zr4  1  0.075213  0.721269  0.283901  1
  Zr  Zr5  1  0.228805  0.029325  0.296755  1
  Zr  Zr6  1  0.386282  0.344989  0.311395  1
  Zr  Zr7  1  0.123641  0.820601  0.339627  1
  Zr  Zr8  1  0.280919  0.135846  0.354359  1
  Zr  Zr9  1  0.437923  0.450413  0.369869  1
  Zr  Zr10  1  0.543511  0.659838  0.326456  1
  Zr  Zr11  1  0.702492  0.978640  0.346092  1
  Zr  Zr12  1  0.858395  0.291134  0.362931  1
  Zr  Zr13  1  0.594523  0.764091  0.386638  1
  Zr  Zr14  1  0.752932  0.081512  0.404794  1
  Zr  Zr15  1  0.909908  0.396083  0.421506  1
  Zr  Zr16  1  0.015178  0.605227  0.379406  1
  Zr  Zr17  1  0.174549  0.924440  0.397121  1
  Zr  Zr18  1  0.331946  0.239839  0.412878  1
  Zr  Zr19  1  0.067037  0.710925  0.438176  1
  Zr  Zr20  1  0.225437  0.028265  0.455448  1
  Zr  Zr21  1  0.382590  0.343167  0.471719  1
  Zr  Zr22  1  0.488639  0.553827  0.429096  1
  Zr  Zr23  1  0.645983  0.869064  0.446129  1
  Zr  Zr24  1  0.803896  0.185487  0.463463  1
  Zr  Zr25  1  0.539601  0.657791  0.488098  1
  Zr  Zr26  1  0.697422  0.973964  0.505207  1
  Zr  Zr27  1  0.854935  0.289574  0.522126  1
  Zr  Zr28  1  0.961031  0.500355  0.480157  1
  Zr  Zr29  1  0.118544  0.815965  0.497076  1
  Zr  Zr30  1  0.276365  0.132139  0.514184  1
  Zr  Zr31  1  0.012070  0.604443  0.538820  1
  Zr  Zr32  1  0.169983  0.920865  0.556154  1
  Zr  Zr33  1  0.327327  0.236102  0.573187  1
  Zr  Zr34  1  0.433376  0.446763  0.530563  1
  Zr  Zr35  1  0.590529  0.761665  0.546834  1
  Zr  Zr36  1  0.748929  0.079004  0.564106  1
  Zr  Zr37  1  0.484020  0.550091  0.589404  1
  Zr  Zr38  1  0.641417  0.865490  0.605161  1
  Zr  Zr39  1  0.800788  0.184703  0.622877  1
  Zr  Zr40  1  0.906058  0.393846  0.580777  1
  Zr  Zr41  1  0.063034  0.708418  0.597488  1
  Zr  Zr42  1  0.221444  0.025838  0.615645  1
  Zr  Zr43  1  0.957571  0.498796  0.639351  1
  Zr  Zr44  1  0.113474  0.811289  0.656190  1
  Zr  Zr45  1  0.272455  0.130091  0.675827  1
  Zr  Zr46  1  0.378043  0.339516  0.632414  1
  Zr  Zr47  1  0.535047  0.654083  0.647924  1
  Zr  Zr48  1  0.692325  0.969328  0.662656  1
  Zr  Zr49  1  0.429684  0.444941  0.690887  1
  Zr  Zr50  1  0.587161  0.760605  0.705528  1
  Zr  Zr51  1  0.740753  0.068660  0.718381  1
  Zr  Zr52  1  0.853284  0.291839  0.681317  1
  Zr  Zr53  1  0.008094  0.602100  0.697961  1
  Zr  Zr54  1  0.161668  0.910091  0.714210  1
