# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43519603
_cell_length_b   10.11239100
_cell_length_c   48.41693100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr56
_cell_volume   2989.05665373
_cell_formula_units_Z   56
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  0.727674  0.452713  0.312879  1
  Zr  Zr2  1  0.947110  0.892253  0.345306  1
  Zr  Zr3  1  0.618489  0.732031  0.297767  1
  Zr  Zr4  1  0.836622  0.171574  0.328388  1
  Zr  Zr5  1  0.116160  0.731860  0.297776  1
  Zr  Zr6  1  0.337211  0.171557  0.328370  1
  Zr  Zr7  1  0.225013  0.447292  0.311866  1
  Zr  Zr8  1  0.003757  0.004936  0.285244  1
  Zr  Zr9  1  0.169924  0.338547  0.375124  1
  Zr  Zr10  1  0.391170  0.781720  0.406338  1
  Zr  Zr11  1  0.060293  0.615852  0.359152  1
  Zr  Zr12  1  0.281277  0.060048  0.391115  1
  Zr  Zr13  1  0.557206  0.615895  0.359143  1
  Zr  Zr14  1  0.779704  0.060037  0.391120  1
  Zr  Zr15  1  0.669513  0.337796  0.374978  1
  Zr  Zr16  1  0.449476  0.896983  0.342879  1
  Zr  Zr17  1  0.613069  0.226166  0.437945  1
  Zr  Zr18  1  0.834331  0.669330  0.469277  1
  Zr  Zr19  1  0.501739  0.503603  0.422128  1
  Zr  Zr20  1  0.723389  0.947645  0.453603  1
  Zr  Zr21  1  0.002150  0.503595  0.422129  1
  Zr  Zr22  1  0.223909  0.947647  0.453601  1
  Zr  Zr23  1  0.112964  0.225943  0.437958  1
  Zr  Zr24  1  0.890687  0.780785  0.406901  1
  Zr  Zr25  1  0.056106  0.113507  0.500600  1
  Zr  Zr26  1  0.277819  0.557577  0.532026  1
  Zr  Zr27  1  0.945485  0.391697  0.484946  1
  Zr  Zr28  1  0.167024  0.835417  0.516252  1
  Zr  Zr29  1  0.445234  0.391698  0.484946  1
  Zr  Zr30  1  0.666773  0.835418  0.516252  1
  Zr  Zr31  1  0.556152  0.113607  0.500598  1
  Zr  Zr32  1  0.334438  0.669538  0.469172  1
  Zr  Zr33  1  0.499293  1.001171  0.563240  1
  Zr  Zr34  1  0.721571  0.446330  0.594297  1
  Zr  Zr35  1  0.388349  0.279468  0.547597  1
  Zr  Zr36  1  0.610107  0.723520  0.579069  1
  Zr  Zr37  1  0.888868  0.279469  0.547595  1
  Zr  Zr38  1  0.110519  0.723511  0.579070  1
  Zr  Zr39  1  0.999189  1.000949  0.563253  1
  Zr  Zr40  1  0.777926  0.557784  0.531921  1
  Zr  Zr41  1  0.942745  0.889319  0.626220  1
  Zr  Zr42  1  0.162782  0.330131  0.658319  1
  Zr  Zr43  1  0.832554  0.167078  0.610078  1
  Zr  Zr44  1  0.055051  0.611219  0.642055  1
  Zr  Zr45  1  0.330981  0.167067  0.610083  1
  Zr  Zr46  1  0.551965  0.611263  0.642046  1
  Zr  Zr47  1  0.442333  0.888568  0.626074  1
  Zr  Zr48  1  0.221087  0.445394  0.594859  1
  Zr  Zr49  1  0.387244  0.779822  0.689332  1
  Zr  Zr50  1  0.608500  0.222178  0.715954  1
  Zr  Zr51  1  0.275047  0.055558  0.672828  1
  Zr  Zr52  1  0.496098  0.495255  0.703422  1
  Zr  Zr53  1  0.775636  0.055541  0.672810  1
  Zr  Zr54  1  0.993768  0.495084  0.703431  1
  Zr  Zr55  1  0.884584  0.774401  0.688319  1
  Zr  Zr56  1  0.665148  0.334862  0.655892  1
