# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20380755
_cell_length_b   13.39579358
_cell_length_c   48.10712118
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.09681420
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr40
_cell_volume   2049.67224903
_cell_formula_units_Z   40
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  0.524333  0.959826  0.312635  1
  Zr  Zr2  1  0.240015  0.528737  0.290559  1
  Zr  Zr3  1  0.122757  0.764003  0.294858  1
  Zr  Zr4  1  0.838766  0.332206  0.273427  1
  Zr  Zr5  1  0.089911  0.828666  0.358871  1
  Zr  Zr6  1  0.807712  0.393437  0.336350  1
  Zr  Zr7  1  0.688483  0.632326  0.340428  1
  Zr  Zr8  1  0.407135  0.195824  0.316629  1
  Zr  Zr9  1  0.656131  0.696139  0.404312  1
  Zr  Zr10  1  0.373394  0.261783  0.381618  1
  Zr  Zr11  1  0.254652  0.499899  0.385752  1
  Zr  Zr12  1  0.971550  0.066300  0.362553  1
  Zr  Zr13  1  0.222216  0.563807  0.449770  1
  Zr  Zr14  1  0.939271  0.129789  0.426922  1
  Zr  Zr15  1  0.820652  0.367725  0.431202  1
  Zr  Zr16  1  0.537389  0.934293  0.408306  1
  Zr  Zr17  1  0.788299  0.431457  0.495232  1
  Zr  Zr18  1  0.505192  0.997744  0.472444  1
  Zr  Zr19  1  0.386692  0.235443  0.476631  1
  Zr  Zr20  1  0.103491  0.801896  0.453868  1
  Zr  Zr21  1  0.354380  0.299118  0.540715  1
  Zr  Zr22  1  0.071179  0.865571  0.517952  1
  Zr  Zr23  1  0.952679  0.103270  0.522139  1
  Zr  Zr24  1  0.669572  0.669557  0.499351  1
  Zr  Zr25  1  0.920483  0.166721  0.586277  1
  Zr  Zr26  1  0.637219  0.733289  0.563382  1
  Zr  Zr27  1  0.518600  0.971225  0.567661  1
  Zr  Zr28  1  0.235655  0.537207  0.544813  1
  Zr  Zr29  1  0.486321  0.034714  0.632030  1
  Zr  Zr30  1  0.203219  0.601115  0.608832  1
  Zr  Zr31  1  0.084477  0.839231  0.612965  1
  Zr  Zr32  1  0.801740  0.404875  0.590271  1
  Zr  Zr33  1  0.050736  0.905190  0.677954  1
  Zr  Zr34  1  0.769388  0.468688  0.654155  1
  Zr  Zr35  1  0.650159  0.707577  0.658234  1
  Zr  Zr36  1  0.367960  0.272348  0.635712  1
  Zr  Zr37  1  0.619105  0.768808  0.721156  1
  Zr  Zr38  1  0.335114  0.337011  0.699725  1
  Zr  Zr39  1  0.217856  0.572277  0.704024  1
  Zr  Zr40  1  0.933539  0.141188  0.681948  1
