# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52815207
_cell_length_b   10.88581433
_cell_length_c   46.38175718
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.80195121
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr52
_cell_volume   2698.55542102
_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  0.779372  0.182280  0.286897  1
  Zr  Zr2  1  0.025329  0.669009  0.302804  1
  Zr  Zr3  1  0.308913  0.943901  0.279824  1
  Zr  Zr4  1  0.540431  0.425539  0.295396  1
  Zr  Zr5  1  0.265050  0.160125  0.320825  1
  Zr  Zr6  1  0.507288  0.648351  0.337285  1
  Zr  Zr7  1  0.786485  0.911505  0.311296  1
  Zr  Zr8  1  0.028499  0.403315  0.329237  1
  Zr  Zr9  1  0.745005  0.134593  0.354526  1
  Zr  Zr10  1  0.988872  0.623827  0.371852  1
  Zr  Zr11  1  0.276772  0.891932  0.346557  1
  Zr  Zr12  1  0.523693  0.380128  0.363420  1
  Zr  Zr13  1  0.231429  0.112238  0.389848  1
  Zr  Zr14  1  0.475061  0.600191  0.406802  1
  Zr  Zr15  1  0.768216  0.867534  0.381038  1
  Zr  Zr16  1  0.012561  0.355834  0.398316  1
  Zr  Zr17  1  0.718596  0.088470  0.424040  1
  Zr  Zr18  1  0.962854  0.576995  0.441257  1
  Zr  Zr19  1  0.257127  0.844218  0.415510  1
  Zr  Zr20  1  0.501548  0.332946  0.432756  1
  Zr  Zr21  1  0.206653  0.065186  0.458668  1
  Zr  Zr22  1  0.450752  0.553547  0.475860  1
  Zr  Zr23  1  0.745634  0.821023  0.450045  1
  Zr  Zr24  1  0.989822  0.309335  0.467253  1
  Zr  Zr25  1  0.694762  0.041793  0.493152  1
  Zr  Zr26  1  0.938955  0.530198  0.510387  1
  Zr  Zr27  1  0.233920  0.797602  0.484567  1
  Zr  Zr28  1  0.478114  0.286006  0.501802  1
  Zr  Zr29  1  0.183053  0.018465  0.527701  1
  Zr  Zr30  1  0.427241  0.506776  0.544909  1
  Zr  Zr31  1  0.722123  0.774252  0.519094  1
  Zr  Zr32  1  0.966222  0.262613  0.536287  1
  Zr  Zr33  1  0.671327  0.994854  0.562198  1
  Zr  Zr34  1  0.915748  0.483582  0.579444  1
  Zr  Zr35  1  0.210021  0.750805  0.553697  1
  Zr  Zr36  1  0.454279  0.239330  0.570914  1
  Zr  Zr37  1  0.160314  0.971966  0.596638  1
  Zr  Zr38  1  0.404659  0.460266  0.613916  1
  Zr  Zr39  1  0.697814  0.727608  0.588152  1
  Zr  Zr40  1  0.941446  0.215562  0.605107  1
  Zr  Zr41  1  0.649182  0.947672  0.631535  1
  Zr  Zr42  1  0.896104  0.435868  0.648398  1
  Zr  Zr43  1  0.184003  0.703973  0.623102  1
  Zr  Zr44  1  0.427870  0.193207  0.640428  1
  Zr  Zr45  1  0.144376  0.924484  0.665717  1
  Zr  Zr46  1  0.386390  0.416295  0.683658  1
  Zr  Zr47  1  0.665587  0.679449  0.657669  1
  Zr  Zr48  1  0.907825  0.167675  0.674129  1
  Zr  Zr49  1  0.632445  0.902260  0.699558  1
  Zr  Zr50  1  0.863962  0.383898  0.715130  1
  Zr  Zr51  1  0.147546  0.658791  0.692150  1
  Zr  Zr52  1  0.393503  0.145519  0.708057  1
