# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20973634
_cell_length_b   9.95927554
_cell_length_c   48.72293019
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.27561135
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr30
_cell_volume   1537.14345269
_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  0.226058  0.448816  0.290961  1
  Zr  Zr2  1  0.608468  0.213652  0.320976  1
  Zr  Zr3  1  0.986714  0.970148  0.349721  1
  Zr  Zr4  1  0.757483  0.511722  0.345760  1
  Zr  Zr5  1  1.002319  1.001394  0.285930  1
  Zr  Zr6  1  0.376348  0.749479  0.313393  1
  Zr  Zr7  1  0.367675  0.732057  0.380422  1
  Zr  Zr8  1  0.747488  0.491677  0.411141  1
  Zr  Zr9  1  0.127099  0.250896  0.441523  1
  Zr  Zr10  1  0.896968  0.790680  0.436223  1
  Zr  Zr11  1  0.137054  0.270859  0.376029  1
  Zr  Zr12  1  0.516931  0.030613  0.405894  1
  Zr  Zr13  1  0.507005  0.010701  0.471716  1
  Zr  Zr14  1  0.887045  0.770775  0.502019  1
  Zr  Zr15  1  0.266929  0.530538  0.532421  1
  Zr  Zr16  1  0.036839  0.070404  0.527478  1
  Zr  Zr17  1  0.276915  0.550567  0.466774  1
  Zr  Zr18  1  0.656799  0.310330  0.497176  1
  Zr  Zr19  1  0.646875  0.290425  0.562972  1
  Zr  Zr20  1  0.026912  0.050493  0.593300  1
  Zr  Zr21  1  0.406789  0.810246  0.623165  1
  Zr  Zr22  1  0.176168  0.349048  0.618773  1
  Zr  Zr23  1  0.416744  0.830210  0.557672  1
  Zr  Zr24  1  0.796356  0.589428  0.588054  1
  Zr  Zr25  1  0.786360  0.569384  0.653434  1
  Zr  Zr26  1  0.167496  0.331627  0.685801  1
  Zr  Zr27  1  0.541525  0.079712  0.713265  1
  Zr  Zr28  1  0.317786  0.632289  0.708233  1
  Zr  Zr29  1  0.557129  0.110957  0.649474  1
  Zr  Zr30  1  0.935376  0.867453  0.678218  1
