# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.48502289
_cell_length_b   6.11200282
_cell_length_c   48.78732095
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.69826896
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr48
_cell_volume   2517.63158996
_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  0.496435  0.870367  0.285908  1
  Zr  Zr2  1  0.837865  0.776303  0.303059  1
  Zr  Zr3  1  0.189144  0.693766  0.320106  1
  Zr  Zr4  1  0.392133  0.356968  0.288534  1
  Zr  Zr5  1  0.737600  0.272916  0.305486  1
  Zr  Zr6  1  0.090112  0.179869  0.322998  1
  Zr  Zr7  1  0.541559  0.602167  0.340449  1
  Zr  Zr8  1  0.894561  0.512447  0.358842  1
  Zr  Zr9  1  0.244906  0.422491  0.376512  1
  Zr  Zr10  1  0.440427  0.087691  0.343133  1
  Zr  Zr11  1  0.790588  0.998560  0.360635  1
  Zr  Zr12  1  0.139693  0.908499  0.379428  1
  Zr  Zr13  1  0.596865  0.331716  0.395591  1
  Zr  Zr14  1  0.947511  0.242130  0.413926  1
  Zr  Zr15  1  0.297920  0.153349  0.432329  1
  Zr  Zr16  1  0.490495  0.818220  0.398607  1
  Zr  Zr17  1  0.840794  0.729480  0.416856  1
  Zr  Zr18  1  0.191004  0.638874  0.435252  1
  Zr  Zr19  1  0.648968  0.063442  0.451160  1
  Zr  Zr20  1  0.999753  0.973682  0.469562  1
  Zr  Zr21  1  0.350225  0.884032  0.487973  1
  Zr  Zr22  1  0.542006  0.548854  0.454048  1
  Zr  Zr23  1  0.892751  0.459479  0.472461  1
  Zr  Zr24  1  0.243300  0.369850  0.490959  1
  Zr  Zr25  1  0.701117  0.794078  0.506682  1
  Zr  Zr26  1  0.051665  0.704450  0.525180  1
  Zr  Zr27  1  0.402410  0.615074  0.543593  1
  Zr  Zr28  1  0.594192  0.279897  0.509668  1
  Zr  Zr29  1  0.944663  0.190246  0.528079  1
  Zr  Zr30  1  0.295448  0.100487  0.546481  1
  Zr  Zr31  1  0.753412  0.525054  0.562389  1
  Zr  Zr32  1  0.103623  0.434448  0.580785  1
  Zr  Zr33  1  0.453921  0.345709  0.599034  1
  Zr  Zr34  1  0.646496  0.010579  0.565312  1
  Zr  Zr35  1  0.996905  0.921799  0.583716  1
  Zr  Zr36  1  0.347552  0.832212  0.602050  1
  Zr  Zr37  1  0.804723  0.255429  0.618213  1
  Zr  Zr38  1  0.153828  0.165368  0.637006  1
  Zr  Zr39  1  0.503989  0.076237  0.654508  1
  Zr  Zr40  1  0.699510  0.741437  0.621129  1
  Zr  Zr41  1  0.049855  0.651482  0.638800  1
  Zr  Zr42  1  0.402857  0.561761  0.657192  1
  Zr  Zr43  1  0.854304  0.984059  0.674643  1
  Zr  Zr44  1  0.206816  0.891013  0.692155  1
  Zr  Zr45  1  0.552283  0.806960  0.709108  1
  Zr  Zr46  1  0.755272  0.470162  0.677535  1
  Zr  Zr47  1  0.106551  0.387625  0.694583  1
  Zr  Zr48  1  0.447981  0.293562  0.711733  1
