# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20763800
_cell_length_b   13.08506147
_cell_length_c   53.62722135
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr42
_cell_volume   2250.84926403
_cell_formula_units_Z   42
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  0.534726  0.419824  0.314689  1
  Zr  Zr2  1  0.534726  0.015648  0.279570  1
  Zr  Zr3  1  0.534726  0.615253  0.245569  1
  Zr  Zr4  1  0.034726  0.416901  0.262903  1
  Zr  Zr5  1  0.034726  0.219806  0.295921  1
  Zr  Zr6  1  0.034726  0.815389  0.262182  1
  Zr  Zr7  1  0.534726  0.619159  0.348679  1
  Zr  Zr8  1  0.534726  0.219570  0.348564  1
  Zr  Zr9  1  0.534726  0.817821  0.313848  1
  Zr  Zr10  1  0.034726  0.617021  0.296404  1
  Zr  Zr11  1  0.034726  0.419722  0.366376  1
  Zr  Zr12  1  0.034726  0.019589  0.331006  1
  Zr  Zr13  1  0.534726  0.819811  0.417926  1
  Zr  Zr14  1  0.534726  0.420330  0.418251  1
  Zr  Zr15  1  0.534726  0.019846  0.383192  1
  Zr  Zr16  1  0.034726  0.819352  0.365917  1
  Zr  Zr17  1  0.034726  0.619664  0.400638  1
  Zr  Zr18  1  0.034726  0.220178  0.400722  1
  Zr  Zr19  1  0.534726  0.020700  0.487442  1
  Zr  Zr20  1  0.534726  0.620139  0.452586  1
  Zr  Zr21  1  0.534726  0.220692  0.452798  1
  Zr  Zr22  1  0.034726  0.020263  0.435324  1
  Zr  Zr23  1  0.034726  0.820270  0.469967  1
  Zr  Zr24  1  0.034726  0.420824  0.470180  1
  Zr  Zr25  1  0.534726  0.221610  0.556849  1
  Zr  Zr26  1  0.534726  0.820785  0.522044  1
  Zr  Zr27  1  0.534726  0.421299  0.522128  1
  Zr  Zr28  1  0.034726  0.221151  0.504840  1
  Zr  Zr29  1  0.034726  0.021116  0.539574  1
  Zr  Zr30  1  0.034726  0.620632  0.504515  1
  Zr  Zr31  1  0.534726  0.423941  0.626362  1
  Zr  Zr32  1  0.534726  0.021373  0.591760  1
  Zr  Zr33  1  0.534726  0.621240  0.556390  1
  Zr  Zr34  1  0.034726  0.421803  0.574086  1
  Zr  Zr35  1  0.034726  0.223142  0.608918  1
  Zr  Zr36  1  0.034726  0.821393  0.574202  1
  Zr  Zr37  1  0.534726  0.624061  0.659863  1
  Zr  Zr38  1  0.534726  0.225573  0.660584  1
  Zr  Zr39  1  0.534726  0.821157  0.626845  1
  Zr  Zr40  1  0.034726  0.621139  0.608077  1
  Zr  Zr41  1  0.034726  0.425710  0.677197  1
  Zr  Zr42  1  0.034726  0.025314  0.643196  1
