# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47067683
_cell_length_b   6.05093948
_cell_length_c   48.81263493
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.75389170
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr48
_cell_volume   2489.31320136
_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  0.512371  0.209103  0.311071  1
  Zr  Zr2  1  0.866765  0.119894  0.330450  1
  Zr  Zr3  1  0.163230  0.293279  0.295534  1
  Zr  Zr4  1  0.409966  0.696163  0.313588  1
  Zr  Zr5  1  0.715624  0.877993  0.282681  1
  Zr  Zr6  1  0.060361  0.781321  0.297618  1
  Zr  Zr7  1  0.569342  0.933895  0.366478  1
  Zr  Zr8  1  0.919944  0.841240  0.385732  1
  Zr  Zr9  1  0.218456  0.024666  0.348751  1
  Zr  Zr10  1  0.465093  0.419859  0.369443  1
  Zr  Zr11  1  0.762443  0.596408  0.332391  1
  Zr  Zr12  1  0.115934  0.512125  0.351828  1
  Zr  Zr13  1  0.622149  0.660148  0.422671  1
  Zr  Zr14  1  0.973244  0.568187  0.441555  1
  Zr  Zr15  1  0.272616  0.750784  0.404382  1
  Zr  Zr16  1  0.516142  0.145557  0.425656  1
  Zr  Zr17  1  0.814532  0.328102  0.388736  1
  Zr  Zr18  1  0.165817  0.235942  0.407380  1
  Zr  Zr19  1  0.674392  0.385466  0.478681  1
  Zr  Zr20  1  0.025204  0.293755  0.497383  1
  Zr  Zr21  1  0.324095  0.476459  0.460191  1
  Zr  Zr22  1  0.568009  0.870892  0.481647  1
  Zr  Zr23  1  0.866630  0.053368  0.444487  1
  Zr  Zr24  1  0.217632  0.961966  0.463167  1
  Zr  Zr25  1  0.726288  0.111037  0.534574  1
  Zr  Zr26  1  0.077290  0.019635  0.553254  1
  Zr  Zr27  1  0.375911  0.202112  0.516094  1
  Zr  Zr28  1  0.619825  0.596544  0.537549  1
  Zr  Zr29  1  0.918716  0.779248  0.500357  1
  Zr  Zr30  1  0.269528  0.687537  0.519060  1
  Zr  Zr31  1  0.778103  0.837061  0.590360  1
  Zr  Zr32  1  0.129388  0.744902  0.609005  1
  Zr  Zr33  1  0.427778  0.927446  0.572084  1
  Zr  Zr34  1  0.671304  0.322219  0.593359  1
  Zr  Zr35  1  0.970676  0.504816  0.556186  1
  Zr  Zr36  1  0.321771  0.412855  0.575069  1
  Zr  Zr37  1  0.827986  0.560878  0.645913  1
  Zr  Zr38  1  0.181477  0.476595  0.665349  1
  Zr  Zr39  1  0.478827  0.653144  0.628298  1
  Zr  Zr40  1  0.725464  0.048337  0.648990  1
  Zr  Zr41  1  0.023976  0.231763  0.612008  1
  Zr  Zr42  1  0.374578  0.139109  0.631263  1
  Zr  Zr43  1  0.883559  0.291682  0.700123  1
  Zr  Zr44  1  0.228296  0.195010  0.715060  1
  Zr  Zr45  1  0.533953  0.376841  0.684153  1
  Zr  Zr46  1  0.780689  0.779724  0.702207  1
  Zr  Zr47  1  0.077154  0.953110  0.667291  1
  Zr  Zr48  1  0.431549  0.863900  0.686670  1
