# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56029093
_cell_length_b   6.11047961
_cell_length_c   49.41220474
_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   1678.83126224
_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  0.328472  0.802969  0.291888  1
  Zr  Zr2  1  0.827871  0.666710  0.317396  1
  Zr  Zr3  1  0.174662  0.302969  0.291888  1
  Zr  Zr4  1  0.675263  0.166710  0.317396  1
  Zr  Zr5  1  0.329120  0.527884  0.346437  1
  Zr  Zr6  1  0.832597  0.388464  0.373675  1
  Zr  Zr7  1  0.174015  0.027884  0.346437  1
  Zr  Zr8  1  0.670538  0.888464  0.373675  1
  Zr  Zr9  1  0.333914  0.250570  0.401875  1
  Zr  Zr10  1  0.833913  0.112656  0.429474  1
  Zr  Zr11  1  0.169221  0.750570  0.401875  1
  Zr  Zr12  1  0.669221  0.612656  0.429474  1
  Zr  Zr13  1  0.334054  0.974302  0.457412  1
  Zr  Zr14  1  0.834089  0.836322  0.485128  1
  Zr  Zr15  1  0.169081  0.474302  0.457412  1
  Zr  Zr16  1  0.669045  0.336322  0.485128  1
  Zr  Zr17  1  0.334089  0.698112  0.513015  1
  Zr  Zr18  1  0.834054  0.560132  0.540731  1
  Zr  Zr19  1  0.169045  0.198112  0.513015  1
  Zr  Zr20  1  0.669081  0.060132  0.540731  1
  Zr  Zr21  1  0.333913  0.421778  0.568669  1
  Zr  Zr22  1  0.833914  0.283864  0.596268  1
  Zr  Zr23  1  0.169221  0.921778  0.568669  1
  Zr  Zr24  1  0.669221  0.783864  0.596268  1
  Zr  Zr25  1  0.332597  0.145970  0.624468  1
  Zr  Zr26  1  0.829120  0.006550  0.651706  1
  Zr  Zr27  1  0.170538  0.645970  0.624468  1
  Zr  Zr28  1  0.674015  0.506550  0.651706  1
  Zr  Zr29  1  0.327871  0.867724  0.680747  1
  Zr  Zr30  1  0.828472  0.731465  0.706255  1
  Zr  Zr31  1  0.175263  0.367724  0.680747  1
  Zr  Zr32  1  0.674662  0.231465  0.706255  1
