# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20376515
_cell_length_b   16.46735394
_cell_length_c   47.69177505
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr48
_cell_volume   2516.1004721
_cell_formula_units_Z   48
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  1.004200  0.621754  0.284450  1
  Zr  Zr2  1  1.004200  0.919209  0.319637  1
  Zr  Zr3  1  0.504200  0.270343  0.301938  1
  Zr  Zr4  1  0.504200  0.454328  0.284551  1
  Zr  Zr5  1  0.504200  0.752567  0.320548  1
  Zr  Zr6  1  1.004200  0.103630  0.302665  1
  Zr  Zr7  1  0.504200  0.566463  0.339572  1
  Zr  Zr8  1  0.504200  0.861286  0.375731  1
  Zr  Zr9  1  1.004200  0.213623  0.357861  1
  Zr  Zr10  1  1.004200  0.398675  0.339876  1
  Zr  Zr11  1  1.004200  0.694373  0.376641  1
  Zr  Zr12  1  0.504200  0.046251  0.358047  1
  Zr  Zr13  1  1.004200  0.508721  0.394869  1
  Zr  Zr14  1  1.004200  0.804004  0.431528  1
  Zr  Zr15  1  0.504200  0.155959  0.413266  1
  Zr  Zr16  1  0.504200  0.341405  0.395356  1
  Zr  Zr17  1  0.504200  0.636741  0.432237  1
  Zr  Zr18  1  1.004200  0.988799  0.413586  1
  Zr  Zr19  1  0.504200  0.451236  0.450347  1
  Zr  Zr20  1  0.504200  0.746538  0.487193  1
  Zr  Zr21  1  1.004200  0.098652  0.468794  1
  Zr  Zr22  1  1.004200  0.283877  0.450878  1
  Zr  Zr23  1  1.004200  0.579221  0.487789  1
  Zr  Zr24  1  0.504200  0.931602  0.469249  1
  Zr  Zr25  1  1.004200  0.393729  0.505860  1
  Zr  Zr26  1  1.004200  0.689073  0.542772  1
  Zr  Zr27  1  0.504200  0.041349  0.524401  1
  Zr  Zr28  1  0.504200  0.226412  0.506457  1
  Zr  Zr29  1  0.504200  0.521715  0.543303  1
  Zr  Zr30  1  1.004200  0.874299  0.524855  1
  Zr  Zr31  1  0.504200  0.336209  0.561412  1
  Zr  Zr32  1  0.504200  0.631545  0.598293  1
  Zr  Zr33  1  1.004200  0.984152  0.580064  1
  Zr  Zr34  1  1.004200  0.168946  0.562122  1
  Zr  Zr35  1  1.004200  0.464229  0.598781  1
  Zr  Zr36  1  0.504200  0.816992  0.580384  1
  Zr  Zr37  1  1.004200  0.278577  0.617009  1
  Zr  Zr38  1  1.004200  0.574276  0.653774  1
  Zr  Zr39  1  0.504200  0.926699  0.635603  1
  Zr  Zr40  1  0.504200  0.111665  0.617919  1
  Zr  Zr41  1  0.504200  0.406487  0.654078  1
  Zr  Zr42  1  1.004200  0.759327  0.635789  1
  Zr  Zr43  1  0.504200  0.220384  0.673102  1
  Zr  Zr44  1  0.504200  0.518622  0.709099  1
  Zr  Zr45  1  1.004200  0.869320  0.690984  1
  Zr  Zr46  1  1.004200  0.053741  0.674013  1
  Zr  Zr47  1  1.004200  0.351196  0.709200  1
  Zr  Zr48  1  0.504200  0.702608  0.691712  1
