# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20973661
_cell_length_b   9.95927353
_cell_length_c   48.72303665
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.27561257
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr30
_cell_volume   1537.14662171
_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  0.226057  0.448816  0.290960  1
  Zr  Zr2  1  0.608468  0.213651  0.320976  1
  Zr  Zr3  1  0.986714  0.970147  0.349720  1
  Zr  Zr4  1  0.757483  0.511721  0.345759  1
  Zr  Zr5  1  1.002319  1.001393  0.285929  1
  Zr  Zr6  1  0.376347  0.749478  0.313393  1
  Zr  Zr7  1  0.367675  0.732056  0.380421  1
  Zr  Zr8  1  0.747488  0.491676  0.411140  1
  Zr  Zr9  1  0.127099  0.250895  0.441522  1
  Zr  Zr10  1  0.896968  0.790679  0.436222  1
  Zr  Zr11  1  0.137054  0.270859  0.376029  1
  Zr  Zr12  1  0.516931  0.030612  0.405893  1
  Zr  Zr13  1  0.507005  0.010700  0.471715  1
  Zr  Zr14  1  0.887044  0.770774  0.502018  1
  Zr  Zr15  1  0.266928  0.530537  0.532420  1
  Zr  Zr16  1  0.036838  0.070403  0.527477  1
  Zr  Zr17  1  0.276915  0.550566  0.466772  1
  Zr  Zr18  1  0.656799  0.310329  0.497174  1
  Zr  Zr19  1  0.646875  0.290424  0.562971  1
  Zr  Zr20  1  0.026912  0.050492  0.593299  1
  Zr  Zr21  1  0.406789  0.810245  0.623164  1
  Zr  Zr22  1  0.176168  0.349047  0.618771  1
  Zr  Zr23  1  0.416744  0.830209  0.557670  1
  Zr  Zr24  1  0.796355  0.589427  0.588053  1
  Zr  Zr25  1  0.786360  0.569382  0.653433  1
  Zr  Zr26  1  0.167496  0.331626  0.685800  1
  Zr  Zr27  1  0.541524  0.079710  0.713263  1
  Zr  Zr28  1  0.317786  0.632288  0.708232  1
  Zr  Zr29  1  0.557129  0.110956  0.649473  1
  Zr  Zr30  1  0.935375  0.867452  0.678217  1
