# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.00093269
_cell_length_b   7.98990798
_cell_length_c   47.04554514
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr56
_cell_volume   2946.70402228
_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  0.855636  0.856869  0.302026  1
  Zr  Zr2  1  0.355636  0.356869  0.302026  1
  Zr  Zr3  1  0.230636  0.731869  0.325587  1
  Zr  Zr4  1  0.730636  0.231869  0.325587  1
  Zr  Zr5  1  0.605636  0.606869  0.302026  1
  Zr  Zr6  1  0.105636  0.106869  0.302026  1
  Zr  Zr7  1  0.980636  0.481869  0.325587  1
  Zr  Zr8  1  0.480636  0.981869  0.325587  1
  Zr  Zr9  1  0.730636  0.731869  0.363679  1
  Zr  Zr10  1  0.230636  0.231869  0.363679  1
  Zr  Zr11  1  0.105636  0.606869  0.387470  1
  Zr  Zr12  1  0.605636  0.106869  0.387470  1
  Zr  Zr13  1  0.480636  0.481869  0.363679  1
  Zr  Zr14  1  0.980636  0.981869  0.363679  1
  Zr  Zr15  1  0.855636  0.356869  0.387470  1
  Zr  Zr16  1  0.355636  0.856869  0.387470  1
  Zr  Zr17  1  0.605636  0.606869  0.425344  1
  Zr  Zr18  1  0.105636  0.106869  0.425344  1
  Zr  Zr19  1  0.980636  0.481869  0.449017  1
  Zr  Zr20  1  0.480636  0.981869  0.449017  1
  Zr  Zr21  1  0.355636  0.356869  0.425344  1
  Zr  Zr22  1  0.855636  0.856869  0.425344  1
  Zr  Zr23  1  0.730636  0.231869  0.449017  1
  Zr  Zr24  1  0.230636  0.731869  0.449017  1
  Zr  Zr25  1  0.480636  0.481869  0.486979  1
  Zr  Zr26  1  0.980636  0.981869  0.486979  1
  Zr  Zr27  1  0.855636  0.356869  0.510614  1
  Zr  Zr28  1  0.355636  0.856869  0.510614  1
  Zr  Zr29  1  0.230636  0.231869  0.486979  1
  Zr  Zr30  1  0.730636  0.731869  0.486979  1
  Zr  Zr31  1  0.605636  0.106869  0.510614  1
  Zr  Zr32  1  0.105636  0.606869  0.510614  1
  Zr  Zr33  1  0.355636  0.356869  0.548576  1
  Zr  Zr34  1  0.855636  0.856869  0.548576  1
  Zr  Zr35  1  0.730636  0.231869  0.572249  1
  Zr  Zr36  1  0.230636  0.731869  0.572249  1
  Zr  Zr37  1  0.105636  0.106869  0.548576  1
  Zr  Zr38  1  0.605636  0.606869  0.548576  1
  Zr  Zr39  1  0.480636  0.981869  0.572249  1
  Zr  Zr40  1  0.980636  0.481869  0.572249  1
  Zr  Zr41  1  0.230636  0.231869  0.610123  1
  Zr  Zr42  1  0.730636  0.731869  0.610123  1
  Zr  Zr43  1  0.605636  0.106869  0.633914  1
  Zr  Zr44  1  0.105636  0.606869  0.633914  1
  Zr  Zr45  1  0.980636  0.981869  0.610123  1
  Zr  Zr46  1  0.480636  0.481869  0.610123  1
  Zr  Zr47  1  0.355636  0.856869  0.633914  1
  Zr  Zr48  1  0.855636  0.356869  0.633914  1
  Zr  Zr49  1  0.105636  0.106869  0.672006  1
  Zr  Zr50  1  0.605636  0.606869  0.672006  1
  Zr  Zr51  1  0.480636  0.981869  0.695567  1
  Zr  Zr52  1  0.980636  0.481869  0.695567  1
  Zr  Zr53  1  0.855636  0.856869  0.672006  1
  Zr  Zr54  1  0.355636  0.356869  0.672006  1
  Zr  Zr55  1  0.230636  0.731869  0.695567  1
  Zr  Zr56  1  0.730636  0.231869  0.695567  1
