# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48826500
_cell_length_b   6.06377108
_cell_length_c   47.81626294
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   62.96157433
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr28
_cell_volume   1417.37855419
_cell_formula_units_Z   28
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  0.463622  0.951036  0.294807  1
  Zr  Zr2  1  0.348922  0.497631  0.282787  1
  Zr  Zr3  1  0.995526  0.870272  0.326635  1
  Zr  Zr4  1  0.891631  0.402673  0.310225  1
  Zr  Zr5  1  0.541543  0.775978  0.358439  1
  Zr  Zr6  1  0.427698  0.321050  0.343807  1
  Zr  Zr7  1  0.081831  0.692687  0.391332  1
  Zr  Zr8  1  0.971902  0.234329  0.375288  1
  Zr  Zr9  1  0.625391  0.604027  0.423675  1
  Zr  Zr10  1  0.513647  0.146529  0.407783  1
  Zr  Zr11  1  0.168585  0.517262  0.456239  1
  Zr  Zr12  1  0.056288  0.060513  0.440203  1
  Zr  Zr13  1  0.711731  0.430141  0.488705  1
  Zr  Zr14  1  0.599425  0.973137  0.472621  1
  Zr  Zr15  1  0.254880  0.343199  0.521178  1
  Zr  Zr16  1  0.142575  0.886195  0.505094  1
  Zr  Zr17  1  0.798017  0.255822  0.553596  1
  Zr  Zr18  1  0.685721  0.799073  0.537560  1
  Zr  Zr19  1  0.340659  0.169807  0.586016  1
  Zr  Zr20  1  0.228914  0.712309  0.570124  1
  Zr  Zr21  1  0.882403  0.082006  0.618511  1
  Zr  Zr22  1  0.772475  0.623649  0.602467  1
  Zr  Zr23  1  0.426607  0.995286  0.649992  1
  Zr  Zr24  1  0.312763  0.540358  0.635360  1
  Zr  Zr25  1  0.962675  0.913663  0.683574  1
  Zr  Zr26  1  0.858780  0.446064  0.667164  1
  Zr  Zr27  1  0.505383  0.818705  0.711012  1
  Zr  Zr28  1  0.390683  0.365299  0.698992  1
