# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41311576
_cell_length_b   10.14628859
_cell_length_c   48.73961330
_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   3008.70510864
_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  0.544688  0.709956  0.303243  1
  Zr  Zr2  1  0.768949  0.158395  0.334151  1
  Zr  Zr3  1  0.656519  0.433586  0.318205  1
  Zr  Zr4  1  0.433421  0.987388  0.288935  1
  Zr  Zr5  1  0.156519  0.433586  0.318205  1
  Zr  Zr6  1  0.933421  0.987388  0.288935  1
  Zr  Zr7  1  0.044688  0.709956  0.303243  1
  Zr  Zr8  1  0.268949  0.158395  0.334151  1
  Zr  Zr9  1  0.989725  0.599871  0.365725  1
  Zr  Zr10  1  0.212336  0.045012  0.397182  1
  Zr  Zr11  1  0.100999  0.322378  0.381311  1
  Zr  Zr12  1  0.879250  0.878963  0.350371  1
  Zr  Zr13  1  0.600999  0.322378  0.381311  1
  Zr  Zr14  1  0.379250  0.878963  0.350371  1
  Zr  Zr15  1  0.489725  0.599871  0.365725  1
  Zr  Zr16  1  0.712336  0.045012  0.397182  1
  Zr  Zr17  1  0.434245  0.488742  0.428239  1
  Zr  Zr18  1  0.656397  0.932959  0.459608  1
  Zr  Zr19  1  0.545434  0.211078  0.443981  1
  Zr  Zr20  1  0.323204  0.766701  0.412632  1
  Zr  Zr21  1  0.045434  0.211078  0.443981  1
  Zr  Zr22  1  0.823204  0.766701  0.412632  1
  Zr  Zr23  1  0.934245  0.488742  0.428239  1
  Zr  Zr24  1  0.156397  0.932959  0.459608  1
  Zr  Zr25  1  0.878597  0.377275  0.490837  1
  Zr  Zr26  1  0.100729  0.821452  0.522148  1
  Zr  Zr27  1  0.989615  0.099267  0.506498  1
  Zr  Zr28  1  0.767483  0.655090  0.475187  1
  Zr  Zr29  1  0.489615  0.099267  0.506498  1
  Zr  Zr30  1  0.267483  0.655090  0.475187  1
  Zr  Zr31  1  0.378597  0.377275  0.490837  1
  Zr  Zr32  1  0.600729  0.821452  0.522148  1
  Zr  Zr33  1  0.322778  0.265464  0.553353  1
  Zr  Zr34  1  0.545008  0.709841  0.584702  1
  Zr  Zr35  1  0.433967  0.987800  0.569095  1
  Zr  Zr36  1  0.211815  0.543583  0.537726  1
  Zr  Zr37  1  0.933967  0.987800  0.569095  1
  Zr  Zr38  1  0.711815  0.543583  0.537726  1
  Zr  Zr39  1  0.822778  0.265464  0.553353  1
  Zr  Zr40  1  0.045008  0.709841  0.584702  1
  Zr  Zr41  1  0.767213  0.154164  0.616023  1
  Zr  Zr42  1  0.988962  0.597579  0.646963  1
  Zr  Zr43  1  0.878487  0.876671  0.631609  1
  Zr  Zr44  1  0.655876  0.431530  0.600153  1
  Zr  Zr45  1  0.378487  0.876671  0.631609  1
  Zr  Zr46  1  0.155876  0.431530  0.600153  1
  Zr  Zr47  1  0.267213  0.154164  0.616023  1
  Zr  Zr48  1  0.488962  0.597579  0.646963  1
  Zr  Zr49  1  0.211693  0.042955  0.679129  1
  Zr  Zr50  1  0.434791  0.489154  0.708399  1
  Zr  Zr51  1  0.323524  0.766586  0.694091  1
  Zr  Zr52  1  0.099263  0.318147  0.663184  1
  Zr  Zr53  1  0.823524  0.766586  0.694091  1
  Zr  Zr54  1  0.599263  0.318147  0.663184  1
  Zr  Zr55  1  0.711693  0.042955  0.679129  1
  Zr  Zr56  1  0.934791  0.489154  0.708399  1
