# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35738019
_cell_length_b   10.03430577
_cell_length_c   48.39736094
_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   2928.92634569
_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  0.051468  0.719216  0.303762  1
  Zr  Zr2  1  0.273657  0.163837  0.335225  1
  Zr  Zr3  1  0.160162  0.436639  0.317718  1
  Zr  Zr4  1  0.940648  0.997657  0.290979  1
  Zr  Zr5  1  0.660162  0.436639  0.317718  1
  Zr  Zr6  1  0.440648  0.997657  0.290979  1
  Zr  Zr7  1  0.551468  0.719216  0.303762  1
  Zr  Zr8  1  0.773657  0.163837  0.335225  1
  Zr  Zr9  1  0.493374  0.603343  0.364998  1
  Zr  Zr10  1  0.716692  0.050014  0.397425  1
  Zr  Zr11  1  0.606029  0.328642  0.381493  1
  Zr  Zr12  1  0.383375  0.883307  0.350690  1
  Zr  Zr13  1  0.106029  0.328642  0.381493  1
  Zr  Zr14  1  0.883375  0.883307  0.350690  1
  Zr  Zr15  1  0.993374  0.603343  0.364998  1
  Zr  Zr16  1  0.216692  0.050014  0.397425  1
  Zr  Zr17  1  0.938113  0.493023  0.428554  1
  Zr  Zr18  1  0.159637  0.936077  0.459938  1
  Zr  Zr19  1  0.049148  0.215189  0.444464  1
  Zr  Zr20  1  0.826538  0.769848  0.412619  1
  Zr  Zr21  1  0.549148  0.215189  0.444464  1
  Zr  Zr22  1  0.326538  0.769848  0.412619  1
  Zr  Zr23  1  0.438113  0.493023  0.428554  1
  Zr  Zr24  1  0.659637  0.936077  0.459938  1
  Zr  Zr25  1  0.381816  0.380477  0.491607  1
  Zr  Zr26  1  0.603370  0.823734  0.522996  1
  Zr  Zr27  1  0.492288  0.101591  0.507161  1
  Zr  Zr28  1  0.270734  0.658334  0.475772  1
  Zr  Zr29  1  0.992288  0.101591  0.507161  1
  Zr  Zr30  1  0.770734  0.658334  0.475772  1
  Zr  Zr31  1  0.881816  0.380477  0.491607  1
  Zr  Zr32  1  0.103370  0.823734  0.522996  1
  Zr  Zr33  1  0.824955  0.266880  0.554304  1
  Zr  Zr34  1  0.047566  0.712220  0.586148  1
  Zr  Zr35  1  0.935991  0.989045  0.570214  1
  Zr  Zr36  1  0.714467  0.545991  0.538829  1
  Zr  Zr37  1  0.435991  0.989045  0.570214  1
  Zr  Zr38  1  0.214467  0.545991  0.538829  1
  Zr  Zr39  1  0.324955  0.266880  0.554304  1
  Zr  Zr40  1  0.547566  0.712220  0.586148  1
  Zr  Zr41  1  0.268075  0.153426  0.617275  1
  Zr  Zr42  1  0.490728  0.598761  0.648077  1
  Zr  Zr43  1  0.380729  0.878725  0.633769  1
  Zr  Zr44  1  0.157411  0.432054  0.601342  1
  Zr  Zr45  1  0.880729  0.878725  0.633769  1
  Zr  Zr46  1  0.657411  0.432054  0.601342  1
  Zr  Zr47  1  0.768075  0.153426  0.617275  1
  Zr  Zr48  1  0.990728  0.598761  0.648077  1
  Zr  Zr49  1  0.713941  0.045429  0.681050  1
  Zr  Zr50  1  0.933456  0.484411  0.707789  1
  Zr  Zr51  1  0.822636  0.762852  0.695005  1
  Zr  Zr52  1  0.600447  0.318232  0.663543  1
  Zr  Zr53  1  0.322636  0.762852  0.695005  1
  Zr  Zr54  1  0.100447  0.318232  0.663543  1
  Zr  Zr55  1  0.213941  0.045429  0.681050  1
  Zr  Zr56  1  0.433456  0.484411  0.707789  1
