# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96525111
_cell_length_b   7.95288971
_cell_length_c   46.44123994
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr56
_cell_volume   2882.46374877
_cell_formula_units_Z   56
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  0.518637  0.519524  0.351246  1
  Zr  Zr2  1  0.269191  0.270128  0.284686  1
  Zr  Zr3  1  0.149827  0.641714  0.314725  1
  Zr  Zr4  1  0.640832  0.150697  0.314712  1
  Zr  Zr5  1  0.014515  0.015352  0.286830  1
  Zr  Zr6  1  0.523864  0.524901  0.286817  1
  Zr  Zr7  1  0.388576  0.898555  0.314724  1
  Zr  Zr8  1  0.897563  0.389581  0.314711  1
  Zr  Zr9  1  0.394213  0.395151  0.415189  1
  Zr  Zr10  1  0.019771  0.020758  0.351258  1
  Zr  Zr11  1  0.893065  0.397723  0.379471  1
  Zr  Zr12  1  0.396770  0.893983  0.379475  1
  Zr  Zr13  1  0.769203  0.770140  0.346947  1
  Zr  Zr14  1  0.269203  0.270140  0.350116  1
  Zr  Zr15  1  0.141593  0.646358  0.379475  1
  Zr  Zr16  1  0.645402  0.142513  0.379472  1
  Zr  Zr17  1  0.269171  0.270108  0.479319  1
  Zr  Zr18  1  0.893078  0.894019  0.415092  1
  Zr  Zr19  1  0.769300  0.270055  0.442307  1
  Zr  Zr20  1  0.269119  0.770237  0.442311  1
  Zr  Zr21  1  0.645335  0.646267  0.415067  1
  Zr  Zr22  1  0.144216  0.145152  0.415211  1
  Zr  Zr23  1  0.020021  0.519335  0.442678  1
  Zr  Zr24  1  0.518397  0.020957  0.442678  1
  Zr  Zr25  1  0.143949  0.144883  0.542410  1
  Zr  Zr26  1  0.769246  0.770183  0.479160  1
  Zr  Zr27  1  0.644719  0.144865  0.506509  1
  Zr  Zr28  1  0.143928  0.645656  0.506510  1
  Zr  Zr29  1  0.519248  0.520177  0.479108  1
  Zr  Zr30  1  0.019170  0.020114  0.479192  1
  Zr  Zr31  1  0.894458  0.394667  0.506510  1
  Zr  Zr32  1  0.393731  0.895395  0.506510  1
  Zr  Zr33  1  0.893867  0.894814  0.607552  1
  Zr  Zr34  1  0.644392  0.645330  0.541994  1
  Zr  Zr35  1  0.519169  0.020185  0.571440  1
  Zr  Zr36  1  0.019248  0.520106  0.571439  1
  Zr  Zr37  1  0.394093  0.395026  0.542026  1
  Zr  Zr38  1  0.894379  0.895322  0.542377  1
  Zr  Zr39  1  0.768572  0.270788  0.571531  1
  Zr  Zr40  1  0.269845  0.769502  0.571532  1
  Zr  Zr41  1  0.769392  0.770342  0.672973  1
  Zr  Zr42  1  0.393395  0.394308  0.607118  1
  Zr  Zr43  1  0.262151  0.777225  0.636863  1
  Zr  Zr44  1  0.776283  0.263082  0.636863  1
  Zr  Zr45  1  0.144547  0.145474  0.607570  1
  Zr  Zr46  1  0.645037  0.645998  0.607099  1
  Zr  Zr47  1  0.519223  0.020146  0.637342  1
  Zr  Zr48  1  0.019209  0.520160  0.637345  1
  Zr  Zr49  1  0.519228  0.520165  0.730497  1
  Zr  Zr50  1  0.269027  0.269950  0.672978  1
  Zr  Zr51  1  0.155179  0.636004  0.700188  1
  Zr  Zr52  1  0.635155  0.156071  0.700175  1
  Zr  Zr53  1  0.019199  0.020136  0.673378  1
  Zr  Zr54  1  0.519220  0.520157  0.667301  1
  Zr  Zr55  1  0.403255  0.884252  0.700176  1
  Zr  Zr56  1  0.883269  0.404279  0.700188  1
