# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52823294
_cell_length_b   10.88583768
_cell_length_c   46.37877114
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.19804878
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr52
_cell_volume   2698.4269502
_cell_formula_units_Z   52
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  0.597242  0.182147  0.286911  1
  Zr  Zr2  1  0.356709  0.668915  0.302806  1
  Zr  Zr3  1  0.365544  0.943725  0.279861  1
  Zr  Zr4  1  0.115069  0.425615  0.295427  1
  Zr  Zr5  1  0.105169  0.160137  0.320831  1
  Zr  Zr6  1  0.859138  0.648382  0.337291  1
  Zr  Zr7  1  0.875482  0.911519  0.311351  1
  Zr  Zr8  1  0.625415  0.403268  0.329265  1
  Zr  Zr9  1  0.610614  0.134594  0.354541  1
  Zr  Zr10  1  0.365215  0.623833  0.371859  1
  Zr  Zr11  1  0.385140  0.891916  0.346599  1
  Zr  Zr12  1  0.143747  0.380113  0.363453  1
  Zr  Zr13  1  0.119322  0.112250  0.389860  1
  Zr  Zr14  1  0.874987  0.600198  0.406814  1
  Zr  Zr15  1  0.900897  0.867508  0.381085  1
  Zr  Zr16  1  0.656860  0.355824  0.398355  1
  Zr  Zr17  1  0.630212  0.088483  0.424056  1
  Zr  Zr18  1  0.385917  0.577006  0.441271  1
  Zr  Zr19  1  0.413051  0.844199  0.415554  1
  Zr  Zr20  1  0.168692  0.332929  0.432796  1
  Zr  Zr21  1  0.141501  0.065195  0.458684  1
  Zr  Zr22  1  0.897212  0.553557  0.475876  1
  Zr  Zr23  1  0.924686  0.821008  0.450091  1
  Zr  Zr24  1  0.680526  0.309324  0.467296  1
  Zr  Zr25  1  0.652950  0.041806  0.493171  1
  Zr  Zr26  1  0.408708  0.530210  0.510405  1
  Zr  Zr27  1  0.436337  0.797587  0.484613  1
  Zr  Zr28  1  0.192095  0.285992  0.501847  1
  Zr  Zr29  1  0.164519  0.018473  0.527722  1
  Zr  Zr30  1  0.920359  0.506789  0.544928  1
  Zr  Zr31  1  0.947833  0.774240  0.519142  1
  Zr  Zr32  1  0.703543  0.262603  0.536334  1
  Zr  Zr33  1  0.676353  0.994868  0.562222  1
  Zr  Zr34  1  0.431994  0.483598  0.579465  1
  Zr  Zr35  1  0.459128  0.750791  0.553747  1
  Zr  Zr36  1  0.214833  0.239314  0.570963  1
  Zr  Zr37  1  0.188185  0.971973  0.596663  1
  Zr  Zr38  1  0.944148  0.460289  0.613933  1
  Zr  Zr39  1  0.970058  0.727599  0.588204  1
  Zr  Zr40  1  0.725723  0.215547  0.605158  1
  Zr  Zr41  1  0.701298  0.947685  0.631566  1
  Zr  Zr42  1  0.459905  0.435881  0.648419  1
  Zr  Zr43  1  0.479829  0.703964  0.623159  1
  Zr  Zr44  1  0.234431  0.193203  0.640477  1
  Zr  Zr45  1  0.219630  0.924529  0.665753  1
  Zr  Zr46  1  0.969563  0.416278  0.683668  1
  Zr  Zr47  1  0.985907  0.679415  0.657727  1
  Zr  Zr48  1  0.739876  0.167660  0.674187  1
  Zr  Zr49  1  0.729976  0.902182  0.699591  1
  Zr  Zr50  1  0.479501  0.384072  0.715157  1
  Zr  Zr51  1  0.488336  0.658882  0.692212  1
  Zr  Zr52  1  0.247803  0.145651  0.708107  1
