# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16768704
_cell_length_b   16.46806180
_cell_length_c   47.40828185
_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   2473.08459141
_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  0.006400  0.625515  0.285795  1
  Zr  Zr2  1  0.006400  0.926504  0.319405  1
  Zr  Zr3  1  0.506400  0.277104  0.301877  1
  Zr  Zr4  1  0.506400  0.460395  0.285516  1
  Zr  Zr5  1  0.506400  0.758461  0.320257  1
  Zr  Zr6  1  0.006400  0.110117  0.303408  1
  Zr  Zr7  1  0.506400  0.572297  0.339682  1
  Zr  Zr8  1  0.506400  0.869507  0.374973  1
  Zr  Zr9  1  0.006400  0.220887  0.357222  1
  Zr  Zr10  1  0.006400  0.405198  0.339936  1
  Zr  Zr11  1  0.006400  0.702335  0.375983  1
  Zr  Zr12  1  0.506400  0.053633  0.357935  1
  Zr  Zr13  1  0.006400  0.516667  0.394814  1
  Zr  Zr14  1  0.006400  0.813125  0.431017  1
  Zr  Zr15  1  0.506400  0.164543  0.412931  1
  Zr  Zr16  1  0.506400  0.349091  0.395271  1
  Zr  Zr17  1  0.506400  0.645824  0.431963  1
  Zr  Zr18  1  0.006400  0.997215  0.413389  1
  Zr  Zr19  1  0.506400  0.460416  0.450335  1
  Zr  Zr20  1  0.506400  0.756795  0.486984  1
  Zr  Zr21  1  0.006400  0.108312  0.468708  1
  Zr  Zr22  1  0.006400  0.292907  0.450993  1
  Zr  Zr23  1  0.006400  0.589323  0.487773  1
  Zr  Zr24  1  0.506400  0.941172  0.469243  1
  Zr  Zr25  1  0.006400  0.404042  0.506020  1
  Zr  Zr26  1  0.006400  0.700457  0.542800  1
  Zr  Zr27  1  0.506400  0.052193  0.524550  1
  Zr  Zr28  1  0.506400  0.236569  0.506809  1
  Zr  Zr29  1  0.506400  0.532948  0.543458  1
  Zr  Zr30  1  0.006400  0.885053  0.525085  1
  Zr  Zr31  1  0.506400  0.347541  0.561830  1
  Zr  Zr32  1  0.506400  0.644273  0.598522  1
  Zr  Zr33  1  0.006400  0.996150  0.580403  1
  Zr  Zr34  1  0.006400  0.180239  0.562776  1
  Zr  Zr35  1  0.006400  0.476698  0.598979  1
  Zr  Zr36  1  0.506400  0.828821  0.580862  1
  Zr  Zr37  1  0.006400  0.291030  0.617810  1
  Zr  Zr38  1  0.006400  0.588166  0.653857  1
  Zr  Zr39  1  0.506400  0.939732  0.635858  1
  Zr  Zr40  1  0.506400  0.123858  0.618820  1
  Zr  Zr41  1  0.506400  0.421067  0.654111  1
  Zr  Zr42  1  0.006400  0.772477  0.636571  1
  Zr  Zr43  1  0.506400  0.234904  0.673536  1
  Zr  Zr44  1  0.506400  0.532970  0.708277  1
  Zr  Zr45  1  0.006400  0.883248  0.690385  1
  Zr  Zr46  1  0.006400  0.066861  0.674388  1
  Zr  Zr47  1  0.006400  0.367849  0.707998  1
  Zr  Zr48  1  0.506400  0.716261  0.691916  1
