# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.48567122
_cell_length_b   6.11163289
_cell_length_c   48.78443840
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.69826697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr48
_cell_volume   2517.52282221
_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  0.496424  0.870340  0.285927  1
  Zr  Zr2  1  0.837846  0.776299  0.303079  1
  Zr  Zr3  1  0.189124  0.693778  0.320126  1
  Zr  Zr4  1  0.392085  0.356936  0.288555  1
  Zr  Zr5  1  0.737550  0.272907  0.305507  1
  Zr  Zr6  1  0.090062  0.179873  0.323020  1
  Zr  Zr7  1  0.541538  0.602170  0.340471  1
  Zr  Zr8  1  0.894539  0.512457  0.358864  1
  Zr  Zr9  1  0.244883  0.422505  0.376535  1
  Zr  Zr10  1  0.440380  0.087684  0.343156  1
  Zr  Zr11  1  0.790541  0.998562  0.360659  1
  Zr  Zr12  1  0.139646  0.908505  0.379453  1
  Zr  Zr13  1  0.596842  0.331731  0.395615  1
  Zr  Zr14  1  0.947488  0.242149  0.413950  1
  Zr  Zr15  1  0.297896  0.153374  0.432354  1
  Zr  Zr16  1  0.490448  0.818227  0.398633  1
  Zr  Zr17  1  0.840746  0.729492  0.416883  1
  Zr  Zr18  1  0.190956  0.638891  0.435279  1
  Zr  Zr19  1  0.648944  0.063469  0.451186  1
  Zr  Zr20  1  0.999729  0.973713  0.469589  1
  Zr  Zr21  1  0.350200  0.884067  0.488001  1
  Zr  Zr22  1  0.541958  0.548872  0.454077  1
  Zr  Zr23  1  0.892703  0.459501  0.472490  1
  Zr  Zr24  1  0.243251  0.369877  0.490989  1
  Zr  Zr25  1  0.701092  0.794115  0.506711  1
  Zr  Zr26  1  0.051641  0.704491  0.525210  1
  Zr  Zr27  1  0.402386  0.615120  0.543623  1
  Zr  Zr28  1  0.594144  0.279926  0.509699  1
  Zr  Zr29  1  0.944615  0.190280  0.528111  1
  Zr  Zr30  1  0.295400  0.100524  0.546514  1
  Zr  Zr31  1  0.753387  0.525102  0.562421  1
  Zr  Zr32  1  0.103598  0.434500  0.580817  1
  Zr  Zr33  1  0.453896  0.345766  0.599067  1
  Zr  Zr34  1  0.646448  0.010619  0.565346  1
  Zr  Zr35  1  0.996855  0.921843  0.583750  1
  Zr  Zr36  1  0.347502  0.832261  0.602085  1
  Zr  Zr37  1  0.804698  0.255488  0.618247  1
  Zr  Zr38  1  0.153803  0.165431  0.637041  1
  Zr  Zr39  1  0.503964  0.076308  0.654544  1
  Zr  Zr40  1  0.699461  0.741488  0.621165  1
  Zr  Zr41  1  0.049804  0.651535  0.638836  1
  Zr  Zr42  1  0.402806  0.561823  0.657229  1
  Zr  Zr43  1  0.854282  0.984119  0.674680  1
  Zr  Zr44  1  0.206794  0.891086  0.692193  1
  Zr  Zr45  1  0.552258  0.807057  0.709145  1
  Zr  Zr46  1  0.755220  0.470215  0.677574  1
  Zr  Zr47  1  0.106498  0.387693  0.694621  1
  Zr  Zr48  1  0.447920  0.293652  0.711773  1
