# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17416004
_cell_length_b   9.86589847
_cell_length_c   48.81018642
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.27240018
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr30
_cell_volume   1508.5641943
_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  0.231997  0.452908  0.289214  1
  Zr  Zr2  1  0.614177  0.217485  0.317992  1
  Zr  Zr3  1  0.992842  0.974872  0.347666  1
  Zr  Zr4  1  0.764247  0.517833  0.343163  1
  Zr  Zr5  1  1.005809  1.001051  0.284459  1
  Zr  Zr6  1  0.382391  0.754356  0.311096  1
  Zr  Zr7  1  0.374111  0.737356  0.377872  1
  Zr  Zr8  1  0.754038  0.497198  0.408569  1
  Zr  Zr9  1  0.133841  0.256819  0.438926  1
  Zr  Zr10  1  0.903361  0.796113  0.433851  1
  Zr  Zr11  1  0.143471  0.276287  0.373160  1
  Zr  Zr12  1  0.523430  0.036248  0.403442  1
  Zr  Zr13  1  0.513825  0.016786  0.469316  1
  Zr  Zr14  1  0.893879  0.776894  0.499751  1
  Zr  Zr15  1  0.273759  0.536657  0.530166  1
  Zr  Zr16  1  0.043282  0.075946  0.525255  1
  Zr  Zr17  1  0.283349  0.556075  0.464406  1
  Zr  Zr18  1  0.663228  0.315838  0.494820  1
  Zr  Zr19  1  0.653746  0.296619  0.560720  1
  Zr  Zr20  1  0.033678  0.056484  0.591130  1
  Zr  Zr21  1  0.413637  0.816445  0.621412  1
  Zr  Zr22  1  0.182997  0.355376  0.616699  1
  Zr  Zr23  1  0.423266  0.835913  0.555645  1
  Zr  Zr24  1  0.803069  0.595534  0.586002  1
  Zr  Zr25  1  0.792860  0.574899  0.651408  1
  Zr  Zr26  1  0.174717  0.338376  0.683476  1
  Zr  Zr27  1  0.551298  0.091680  0.710113  1
  Zr  Zr28  1  0.325111  0.639823  0.705358  1
  Zr  Zr29  1  0.564265  0.117859  0.646905  1
  Zr  Zr30  1  0.942930  0.875247  0.676579  1
