# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56029062
_cell_length_b   6.11048021
_cell_length_c   49.41215681
_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   Zr32
_cell_volume   1678.82970429
_cell_formula_units_Z   32
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  0.328473  0.802967  0.291888  1
  Zr  Zr2  1  0.827872  0.666707  0.317397  1
  Zr  Zr3  1  0.174662  0.302967  0.291888  1
  Zr  Zr4  1  0.675263  0.166707  0.317397  1
  Zr  Zr5  1  0.329120  0.527882  0.346438  1
  Zr  Zr6  1  0.832597  0.388462  0.373675  1
  Zr  Zr7  1  0.174015  0.027882  0.346438  1
  Zr  Zr8  1  0.670538  0.888462  0.373675  1
  Zr  Zr9  1  0.333914  0.250568  0.401875  1
  Zr  Zr10  1  0.833913  0.112654  0.429475  1
  Zr  Zr11  1  0.169221  0.750568  0.401875  1
  Zr  Zr12  1  0.669222  0.612654  0.429475  1
  Zr  Zr13  1  0.334054  0.974301  0.457413  1
  Zr  Zr14  1  0.834089  0.836320  0.485129  1
  Zr  Zr15  1  0.169081  0.474301  0.457413  1
  Zr  Zr16  1  0.669046  0.336320  0.485129  1
  Zr  Zr17  1  0.334089  0.698110  0.513016  1
  Zr  Zr18  1  0.834054  0.560130  0.540731  1
  Zr  Zr19  1  0.169046  0.198110  0.513016  1
  Zr  Zr20  1  0.669081  0.060130  0.540731  1
  Zr  Zr21  1  0.333913  0.421777  0.568669  1
  Zr  Zr22  1  0.833914  0.283862  0.596269  1
  Zr  Zr23  1  0.169222  0.921777  0.568669  1
  Zr  Zr24  1  0.669221  0.783862  0.596269  1
  Zr  Zr25  1  0.332597  0.145968  0.624469  1
  Zr  Zr26  1  0.829120  0.006549  0.651707  1
  Zr  Zr27  1  0.170538  0.645968  0.624469  1
  Zr  Zr28  1  0.674015  0.506549  0.651707  1
  Zr  Zr29  1  0.327872  0.867723  0.680748  1
  Zr  Zr30  1  0.828473  0.731463  0.706256  1
  Zr  Zr31  1  0.175263  0.367723  0.680748  1
  Zr  Zr32  1  0.674662  0.231463  0.706256  1
