# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.49137125
_cell_length_b   6.07854779
_cell_length_c   48.98458432
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.73515121
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr48
_cell_volume   2515.69362571
_cell_formula_units_Z   48
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  0.492092  0.856060  0.284079  1
  Zr  Zr2  1  0.841499  0.761021  0.300982  1
  Zr  Zr3  1  0.190201  0.670023  0.318952  1
  Zr  Zr4  1  0.387700  0.341358  0.286697  1
  Zr  Zr5  1  0.737730  0.249612  0.303798  1
  Zr  Zr6  1  0.086548  0.155184  0.321721  1
  Zr  Zr7  1  0.544015  0.582466  0.338665  1
  Zr  Zr8  1  0.894938  0.490558  0.356681  1
  Zr  Zr9  1  0.244095  0.399613  0.375190  1
  Zr  Zr10  1  0.436287  0.067684  0.341600  1
  Zr  Zr11  1  0.788588  0.977408  0.359626  1
  Zr  Zr12  1  0.138611  0.885057  0.378148  1
  Zr  Zr13  1  0.595724  0.308837  0.393918  1
  Zr  Zr14  1  0.946226  0.217828  0.412357  1
  Zr  Zr15  1  0.296743  0.126991  0.430841  1
  Zr  Zr16  1  0.489441  0.794458  0.396898  1
  Zr  Zr17  1  0.840254  0.703693  0.415200  1
  Zr  Zr18  1  0.190742  0.612533  0.433784  1
  Zr  Zr19  1  0.647644  0.035951  0.449474  1
  Zr  Zr20  1  0.998240  0.944975  0.467956  1
  Zr  Zr21  1  0.348885  0.854119  0.486457  1
  Zr  Zr22  1  0.541631  0.521618  0.452388  1
  Zr  Zr23  1  0.892241  0.430827  0.470861  1
  Zr  Zr24  1  0.242880  0.339784  0.489375  1
  Zr  Zr25  1  0.699664  0.763165  0.505052  1
  Zr  Zr26  1  0.050303  0.672122  0.523566  1
  Zr  Zr27  1  0.400913  0.581330  0.542039  1
  Zr  Zr28  1  0.593658  0.248829  0.507970  1
  Zr  Zr29  1  0.944304  0.157973  0.526471  1
  Zr  Zr30  1  0.294899  0.066997  0.544953  1
  Zr  Zr31  1  0.751801  0.490416  0.560643  1
  Zr  Zr32  1  0.102290  0.399256  0.579226  1
  Zr  Zr33  1  0.453102  0.308490  0.597529  1
  Zr  Zr34  1  0.645801  0.975958  0.563586  1
  Zr  Zr35  1  0.996318  0.885120  0.582070  1
  Zr  Zr36  1  0.346819  0.794111  0.600508  1
  Zr  Zr37  1  0.803932  0.217891  0.616278  1
  Zr  Zr38  1  0.153955  0.125541  0.634801  1
  Zr  Zr39  1  0.506257  0.035265  0.652827  1
  Zr  Zr40  1  0.698448  0.703336  0.619236  1
  Zr  Zr41  1  0.047605  0.612391  0.637746  1
  Zr  Zr42  1  0.398528  0.520483  0.655761  1
  Zr  Zr43  1  0.855996  0.947765  0.672706  1
  Zr  Zr44  1  0.204813  0.853336  0.690629  1
  Zr  Zr45  1  0.554844  0.761590  0.707730  1
  Zr  Zr46  1  0.752343  0.432925  0.675475  1
  Zr  Zr47  1  0.101044  0.341927  0.693444  1
  Zr  Zr48  1  0.450451  0.246889  0.710348  1
