# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18780946
_cell_length_b   15.97617637
_cell_length_c   49.66615285
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.78527856
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr48
_cell_volume   2516.56441856
_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  0.046299  0.082384  0.306593  1
  Zr  Zr2  1  0.206145  0.402277  0.324011  1
  Zr  Zr3  1  0.881234  0.752988  0.289566  1
  Zr  Zr4  1  0.458343  0.906965  0.316913  1
  Zr  Zr5  1  0.134344  0.259483  0.281987  1
  Zr  Zr6  1  0.295094  0.581765  0.299072  1
  Zr  Zr7  1  0.528776  0.047444  0.362328  1
  Zr  Zr8  1  0.690808  0.371531  0.381119  1
  Zr  Zr9  1  0.367279  0.724770  0.343851  1
  Zr  Zr10  1  0.942499  0.875283  0.372614  1
  Zr  Zr11  1  0.619843  0.230024  0.336707  1
  Zr  Zr12  1  0.781081  0.552876  0.354542  1
  Zr  Zr13  1  0.013436  0.016690  0.418238  1
  Zr  Zr14  1  0.175057  0.339910  0.436906  1
  Zr  Zr15  1  0.851978  0.693918  0.399818  1
  Zr  Zr16  1  0.427240  0.844639  0.428278  1
  Zr  Zr17  1  0.104061  0.198315  0.391581  1
  Zr  Zr18  1  0.265730  0.521772  0.409981  1
  Zr  Zr19  1  0.498059  0.985806  0.473949  1
  Zr  Zr20  1  0.659623  0.308910  0.492538  1
  Zr  Zr21  1  0.336580  0.662933  0.455518  1
  Zr  Zr22  1  0.911834  0.813672  0.483911  1
  Zr  Zr23  1  0.588705  0.167490  0.446978  1
  Zr  Zr24  1  0.750289  0.490668  0.465492  1
  Zr  Zr25  1  0.982664  0.954857  0.529562  1
  Zr  Zr26  1  0.144248  0.278035  0.548076  1
  Zr  Zr27  1  0.821119  0.631853  0.511142  1
  Zr  Zr28  1  0.396373  0.782591  0.539535  1
  Zr  Zr29  1  0.073330  0.136614  0.502516  1
  Zr  Zr30  1  0.234894  0.459718  0.521105  1
  Zr  Zr31  1  0.467223  0.923753  0.585072  1
  Zr  Zr32  1  0.628892  0.247209  0.603473  1
  Zr  Zr33  1  0.305713  0.600886  0.566776  1
  Zr  Zr34  1  0.880975  0.751607  0.595236  1
  Zr  Zr35  1  0.557896  0.105615  0.558148  1
  Zr  Zr36  1  0.719517  0.428834  0.576816  1
  Zr  Zr37  1  0.951872  0.892648  0.640512  1
  Zr  Zr38  1  0.113110  0.215500  0.658347  1
  Zr  Zr39  1  0.790454  0.570241  0.622439  1
  Zr  Zr40  1  0.365674  0.720755  0.651202  1
  Zr  Zr41  1  0.042145  0.073993  0.613934  1
  Zr  Zr42  1  0.204177  0.398081  0.632726  1
  Zr  Zr43  1  0.437859  0.863759  0.695982  1
  Zr  Zr44  1  0.598609  0.186041  0.713067  1
  Zr  Zr45  1  0.274610  0.538559  0.678141  1
  Zr  Zr46  1  0.851719  0.692536  0.705487  1
  Zr  Zr47  1  0.526808  0.043247  0.671043  1
  Zr  Zr48  1  0.686654  0.363140  0.688461  1
