# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40347396
_cell_length_b   6.05852611
_cell_length_c   48.79779836
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.69306013
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr48
_cell_volume   2472.17182907
_cell_formula_units_Z   48
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  0.496693  0.873447  0.285449  1
  Zr  Zr2  1  0.842613  0.782434  0.301156  1
  Zr  Zr3  1  0.192797  0.696939  0.318228  1
  Zr  Zr4  1  0.393629  0.359429  0.287946  1
  Zr  Zr5  1  0.740894  0.274002  0.303448  1
  Zr  Zr6  1  0.090940  0.181980  0.320820  1
  Zr  Zr7  1  0.547442  0.605380  0.338672  1
  Zr  Zr8  1  0.897935  0.516409  0.356152  1
  Zr  Zr9  1  0.247171  0.428562  0.374168  1
  Zr  Zr10  1  0.441670  0.091187  0.341470  1
  Zr  Zr11  1  0.792622  0.004473  0.358668  1
  Zr  Zr12  1  0.142133  0.914431  0.377104  1
  Zr  Zr13  1  0.599717  0.337499  0.393613  1
  Zr  Zr14  1  0.950191  0.248629  0.411789  1
  Zr  Zr15  1  0.300303  0.159931  0.430256  1
  Zr  Zr16  1  0.493518  0.823597  0.396525  1
  Zr  Zr17  1  0.844564  0.735662  0.414606  1
  Zr  Zr18  1  0.194932  0.645809  0.433142  1
  Zr  Zr19  1  0.651743  0.069718  0.449232  1
  Zr  Zr20  1  1.002331  0.980390  0.467666  1
  Zr  Zr21  1  0.352867  0.891300  0.486146  1
  Zr  Zr22  1  0.546130  0.555774  0.452112  1
  Zr  Zr23  1  0.896902  0.466916  0.470493  1
  Zr  Zr24  1  0.247422  0.377394  0.489033  1
  Zr  Zr25  1  0.704003  0.801415  0.504992  1
  Zr  Zr26  1  0.054523  0.711893  0.523532  1
  Zr  Zr27  1  0.405294  0.623035  0.541913  1
  Zr  Zr28  1  0.598557  0.287509  0.507879  1
  Zr  Zr29  1  0.949093  0.198419  0.526359  1
  Zr  Zr30  1  0.299681  0.109090  0.544793  1
  Zr  Zr31  1  0.756492  0.532999  0.560883  1
  Zr  Zr32  1  0.106860  0.443147  0.579419  1
  Zr  Zr33  1  0.457907  0.355212  0.597500  1
  Zr  Zr34  1  0.651121  0.018878  0.563769  1
  Zr  Zr35  1  1.001234  0.930180  0.582236  1
  Zr  Zr36  1  0.351707  0.841310  0.600412  1
  Zr  Zr37  1  0.809291  0.264378  0.616921  1
  Zr  Zr38  1  0.158802  0.174336  0.635357  1
  Zr  Zr39  1  0.509755  0.087622  0.652555  1
  Zr  Zr40  1  0.704253  0.750247  0.619858  1
  Zr  Zr41  1  0.053489  0.662399  0.637873  1
  Zr  Zr42  1  0.403982  0.573429  0.655354  1
  Zr  Zr43  1  0.860484  0.996829  0.673205  1
  Zr  Zr44  1  0.210530  0.904807  0.690577  1
  Zr  Zr45  1  0.557795  0.819380  0.706079  1
  Zr  Zr46  1  0.758628  0.481870  0.675797  1
  Zr  Zr47  1  0.108811  0.396375  0.692869  1
  Zr  Zr48  1  0.454731  0.305362  0.708576  1
