# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18280646
_cell_length_b   6.05371014
_cell_length_c   49.61872891
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.61810261
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr18
_cell_volume   921.796961269
_cell_formula_units_Z   18
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  0.320082  0.877787  0.300134  1
  Zr  Zr2  1  0.054843  0.410385  0.293562  1
  Zr  Zr3  1  0.934686  0.648011  0.349408  1
  Zr  Zr4  1  0.668576  0.181690  0.341960  1
  Zr  Zr5  1  0.548188  0.420344  0.399807  1
  Zr  Zr6  1  0.281360  0.955372  0.392062  1
  Zr  Zr7  1  0.161720  0.192642  0.450015  1
  Zr  Zr8  1  0.894611  0.728152  0.442163  1
  Zr  Zr9  1  0.775127  0.965176  0.500190  1
  Zr  Zr10  1  0.507932  0.500845  0.492328  1
  Zr  Zr11  1  0.388448  0.737869  0.550355  1
  Zr  Zr12  1  0.121340  0.273379  0.542502  1
  Zr  Zr13  1  1.001700  0.510649  0.600456  1
  Zr  Zr14  1  0.734872  0.045677  0.592711  1
  Zr  Zr15  1  0.614483  0.284331  0.650557  1
  Zr  Zr16  1  0.348374  0.818010  0.643109  1
  Zr  Zr17  1  0.228216  0.055636  0.698956  1
  Zr  Zr18  1  0.962978  0.588234  0.692383  1
