# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.48535562
_cell_length_b   6.11184986
_cell_length_c   48.78536592
_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   2517.56641829
_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  0.496429  0.870351  0.285921  1
  Zr  Zr2  1  0.837854  0.776298  0.303072  1
  Zr  Zr3  1  0.189133  0.693769  0.320120  1
  Zr  Zr4  1  0.392109  0.356950  0.288548  1
  Zr  Zr5  1  0.737574  0.272908  0.305500  1
  Zr  Zr6  1  0.090086  0.179868  0.323013  1
  Zr  Zr7  1  0.541548  0.602166  0.340464  1
  Zr  Zr8  1  0.894550  0.512449  0.358857  1
  Zr  Zr9  1  0.244894  0.422495  0.376528  1
  Zr  Zr10  1  0.440403  0.087685  0.343149  1
  Zr  Zr11  1  0.790564  0.998558  0.360651  1
  Zr  Zr12  1  0.139669  0.908499  0.379445  1
  Zr  Zr13  1  0.596853  0.331721  0.395607  1
  Zr  Zr14  1  0.947499  0.242136  0.413942  1
  Zr  Zr15  1  0.297908  0.153358  0.432346  1
  Zr  Zr16  1  0.490471  0.818220  0.398625  1
  Zr  Zr17  1  0.840769  0.729483  0.416874  1
  Zr  Zr18  1  0.190979  0.638879  0.435270  1
  Zr  Zr19  1  0.648955  0.063452  0.451178  1
  Zr  Zr20  1  0.999740  0.973694  0.469581  1
  Zr  Zr21  1  0.350212  0.884046  0.487992  1
  Zr  Zr22  1  0.541981  0.548860  0.454067  1
  Zr  Zr23  1  0.892726  0.459487  0.472481  1
  Zr  Zr24  1  0.243275  0.369860  0.490979  1
  Zr  Zr25  1  0.701104  0.794093  0.506702  1
  Zr  Zr26  1  0.051652  0.704467  0.525200  1
  Zr  Zr27  1  0.402397  0.615094  0.543614  1
  Zr  Zr28  1  0.594167  0.279908  0.509689  1
  Zr  Zr29  1  0.944638  0.190260  0.528101  1
  Zr  Zr30  1  0.295423  0.100501  0.546503  1
  Zr  Zr31  1  0.753399  0.525074  0.562411  1
  Zr  Zr32  1  0.103610  0.434471  0.580807  1
  Zr  Zr33  1  0.453908  0.345734  0.599057  1
  Zr  Zr34  1  0.646471  0.010595  0.565335  1
  Zr  Zr35  1  0.996879  0.921817  0.583739  1
  Zr  Zr36  1  0.347526  0.832233  0.602074  1
  Zr  Zr37  1  0.804710  0.255455  0.618236  1
  Zr  Zr38  1  0.153815  0.165396  0.637030  1
  Zr  Zr39  1  0.503976  0.076269  0.654533  1
  Zr  Zr40  1  0.699485  0.741459  0.621153  1
  Zr  Zr41  1  0.049829  0.651505  0.638824  1
  Zr  Zr42  1  0.402831  0.561788  0.657217  1
  Zr  Zr43  1  0.854292  0.984086  0.674668  1
  Zr  Zr44  1  0.206804  0.891045  0.692181  1
  Zr  Zr45  1  0.552269  0.807004  0.709133  1
  Zr  Zr46  1  0.755246  0.470184  0.677561  1
  Zr  Zr47  1  0.106524  0.387655  0.694609  1
  Zr  Zr48  1  0.447950  0.293602  0.711760  1
