# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.52976818
_cell_length_b   6.11514632
_cell_length_c   46.81483058
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.63589439
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr60
_cell_volume   3073.92401534
_cell_formula_units_Z   60
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  0.217498  0.715524  0.284739  1
  Zr  Zr2  1  0.494637  0.665936  0.299140  1
  Zr  Zr3  1  0.776940  0.605236  0.313205  1
  Zr  Zr4  1  0.153492  0.259334  0.274864  1
  Zr  Zr5  1  0.427935  0.199867  0.287813  1
  Zr  Zr6  1  0.704003  0.143911  0.302829  1
  Zr  Zr7  1  0.053983  0.550461  0.329770  1
  Zr  Zr8  1  0.334160  0.490639  0.344355  1
  Zr  Zr9  1  0.614089  0.437363  0.359392  1
  Zr  Zr10  1  0.982981  0.086806  0.316885  1
  Zr  Zr11  1  0.263934  0.038115  0.333395  1
  Zr  Zr12  1  0.546047  0.980644  0.348528  1
  Zr  Zr13  1  0.893237  0.380891  0.374692  1
  Zr  Zr14  1  0.173080  0.326179  0.390798  1
  Zr  Zr15  1  0.452738  0.270904  0.405603  1
  Zr  Zr16  1  0.824306  0.926383  0.363591  1
  Zr  Zr17  1  0.105258  0.869703  0.378209  1
  Zr  Zr18  1  0.385463  0.813678  0.393443  1
  Zr  Zr19  1  0.731997  0.215764  0.420711  1
  Zr  Zr20  1  0.011692  0.159585  0.435863  1
  Zr  Zr21  1  0.292023  0.104368  0.451207  1
  Zr  Zr22  1  0.665082  0.758108  0.408729  1
  Zr  Zr23  1  0.944629  0.703743  0.423712  1
  Zr  Zr24  1  0.224535  0.649667  0.438999  1
  Zr  Zr25  1  0.571728  0.049207  0.466342  1
  Zr  Zr26  1  0.851426  0.993913  0.481452  1
  Zr  Zr27  1  0.131181  0.938717  0.496669  1
  Zr  Zr28  1  0.504290  0.593900  0.454220  1
  Zr  Zr29  1  0.784153  0.538301  0.469324  1
  Zr  Zr30  1  0.063970  0.482973  0.484355  1
  Zr  Zr31  1  0.411021  0.883675  0.511948  1
  Zr  Zr32  1  0.690838  0.828347  0.526979  1
  Zr  Zr33  1  0.970702  0.772748  0.542084  1
  Zr  Zr34  1  0.343810  0.427931  0.499635  1
  Zr  Zr35  1  0.623566  0.372735  0.514852  1
  Zr  Zr36  1  0.903263  0.317441  0.529962  1
  Zr  Zr37  1  0.250456  0.716982  0.557304  1
  Zr  Zr38  1  0.530362  0.662906  0.572591  1
  Zr  Zr39  1  0.809909  0.608540  0.587575  1
  Zr  Zr40  1  0.182968  0.262280  0.545097  1
  Zr  Zr41  1  0.463299  0.207063  0.560441  1
  Zr  Zr42  1  0.742994  0.150884  0.575592  1
  Zr  Zr43  1  0.089528  0.552971  0.602860  1
  Zr  Zr44  1  0.369733  0.496945  0.618094  1
  Zr  Zr45  1  0.650686  0.440265  0.632713  1
  Zr  Zr46  1  0.022254  0.095744  0.590701  1
  Zr  Zr47  1  0.301911  0.040469  0.605506  1
  Zr  Zr48  1  0.581754  0.985758  0.621612  1
  Zr  Zr49  1  0.928944  0.386004  0.647776  1
  Zr  Zr50  1  0.211058  0.328533  0.662909  1
  Zr  Zr51  1  0.492010  0.279842  0.679419  1
  Zr  Zr52  1  0.860902  0.929285  0.636912  1
  Zr  Zr53  1  0.140831  0.876009  0.651949  1
  Zr  Zr54  1  0.421008  0.816187  0.666534  1
  Zr  Zr55  1  0.770988  0.222737  0.693474  1
  Zr  Zr56  1  0.047056  0.166781  0.708491  1
  Zr  Zr57  1  0.321499  0.107315  0.721440  1
  Zr  Zr58  1  0.698051  0.761412  0.683098  1
  Zr  Zr59  1  0.980355  0.700712  0.697164  1
  Zr  Zr60  1  0.257493  0.651125  0.711565  1
