# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54985763
_cell_length_b   6.10912142
_cell_length_c   46.23254046
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.06509543
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr26
_cell_volume   1395.84591968
_cell_formula_units_Z   26
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  0.416139  0.946009  0.306639  1
  Zr  Zr2  1  0.837650  0.501924  0.293003  1
  Zr  Zr3  1  0.862949  0.866228  0.340477  1
  Zr  Zr4  1  0.279382  0.396601  0.322862  1
  Zr  Zr5  1  0.310608  0.771548  0.373044  1
  Zr  Zr6  1  0.739864  0.320031  0.357412  1
  Zr  Zr7  1  0.765965  0.686922  0.407457  1
  Zr  Zr8  1  0.199162  0.229241  0.390713  1
  Zr  Zr9  1  0.220611  0.598967  0.440516  1
  Zr  Zr10  1  0.654993  0.141453  0.423904  1
  Zr  Zr11  1  0.676911  0.511517  0.474050  1
  Zr  Zr12  1  0.112278  0.055833  0.457531  1
  Zr  Zr13  1  0.133141  0.424997  0.507538  1
  Zr  Zr14  1  0.568149  0.967537  0.490780  1
  Zr  Zr15  1  0.589013  0.336701  0.540787  1
  Zr  Zr16  1  0.024380  0.881017  0.524269  1
  Zr  Zr17  1  0.046298  0.251080  0.574415  1
  Zr  Zr18  1  0.480680  0.793567  0.557802  1
  Zr  Zr19  1  0.502129  0.163293  0.607605  1
  Zr  Zr20  1  0.935325  0.705612  0.590861  1
  Zr  Zr21  1  0.961426  0.072503  0.640906  1
  Zr  Zr22  1  0.390683  0.620985  0.625274  1
  Zr  Zr23  1  0.421909  0.995933  0.675456  1
  Zr  Zr24  1  0.838342  0.526305  0.657841  1
  Zr  Zr25  1  0.863640  0.890610  0.705315  1
  Zr  Zr26  1  0.285151  0.446525  0.691680  1
