# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19082777
_cell_length_b   9.93335220
_cell_length_c   48.59862535
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.30957729
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr30
_cell_volume   1520.07476322
_cell_formula_units_Z   30
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  0.293165  0.573131  0.332200  1
  Zr  Zr2  1  0.534564  0.056042  0.276510  1
  Zr  Zr3  1  0.913219  0.813542  0.303331  1
  Zr  Zr4  1  0.681258  0.349921  0.298793  1
  Zr  Zr5  1  0.061900  0.111270  0.329408  1
  Zr  Zr6  1  0.440498  0.868528  0.358742  1
  Zr  Zr7  1  0.430439  0.847232  0.424503  1
  Zr  Zr8  1  0.673286  0.333188  0.363295  1
  Zr  Zr9  1  0.051563  0.089635  0.394408  1
  Zr  Zr10  1  0.820458  0.628230  0.388758  1
  Zr  Zr11  1  0.199877  0.386927  0.419453  1
  Zr  Zr12  1  0.579045  0.145141  0.450155  1
  Zr  Zr13  1  0.568155  0.122262  0.515866  1
  Zr  Zr14  1  0.809714  0.605644  0.454825  1
  Zr  Zr15  1  0.189035  0.364160  0.485416  1
  Zr  Zr16  1  0.958018  0.902944  0.480449  1
  Zr  Zr17  1  0.337139  0.661047  0.510899  1
  Zr  Zr18  1  0.716460  0.419563  0.541490  1
  Zr  Zr19  1  0.705716  0.396977  0.607557  1
  Zr  Zr20  1  0.947129  0.880065  0.546159  1
  Zr  Zr21  1  0.326297  0.638280  0.576862  1
  Zr  Zr22  1  0.095735  0.177975  0.571812  1
  Zr  Zr23  1  0.474610  0.935572  0.601907  1
  Zr  Zr24  1  0.852887  0.692018  0.633020  1
  Zr  Zr25  1  0.844915  0.675286  0.697522  1
  Zr  Zr26  1  0.085675  0.156679  0.637573  1
  Zr  Zr27  1  0.464274  0.913937  0.666907  1
  Zr  Zr28  1  0.233009  0.452076  0.664115  1
  Zr  Zr29  1  0.612954  0.211665  0.692984  1
  Zr  Zr30  1  0.991609  0.969165  0.719805  1
