# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19950290
_cell_length_b   8.05555549
_cell_length_c   57.93114847
_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   Zr28
_cell_volume   1493.10427807
_cell_formula_units_Z   28
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  0.104766  0.220775  0.259799  1
  Zr  Zr2  1  0.104766  0.856187  0.238449  1
  Zr  Zr3  1  0.604766  0.508708  0.232692  1
  Zr  Zr4  1  0.604766  0.152654  0.213487  1
  Zr  Zr5  1  0.104766  0.013463  0.332578  1
  Zr  Zr6  1  0.104766  0.592105  0.279548  1
  Zr  Zr7  1  0.604766  0.303416  0.306378  1
  Zr  Zr8  1  0.604766  0.933006  0.285689  1
  Zr  Zr9  1  0.104766  0.750625  0.373885  1
  Zr  Zr10  1  0.104766  0.382045  0.353306  1
  Zr  Zr11  1  0.604766  0.092728  0.379558  1
  Zr  Zr12  1  0.604766  0.670913  0.326848  1
  Zr  Zr13  1  0.104766  0.540759  0.447185  1
  Zr  Zr14  1  0.104766  0.172185  0.426534  1
  Zr  Zr15  1  0.604766  0.830031  0.420887  1
  Zr  Zr16  1  0.604766  0.461458  0.400236  1
  Zr  Zr17  1  0.104766  0.331303  0.520573  1
  Zr  Zr18  1  0.104766  0.909489  0.467862  1
  Zr  Zr19  1  0.604766  0.620172  0.494115  1
  Zr  Zr20  1  0.604766  0.251592  0.473535  1
  Zr  Zr21  1  0.104766  0.069210  0.561732  1
  Zr  Zr22  1  0.104766  0.698801  0.541043  1
  Zr  Zr23  1  0.604766  0.410112  0.567873  1
  Zr  Zr24  1  0.604766  -0.011247  0.514843  1
  Zr  Zr25  1  0.104766  0.849562  0.633933  1
  Zr  Zr26  1  0.104766  0.493509  0.614729  1
  Zr  Zr27  1  0.604766  0.146029  0.608972  1
  Zr  Zr28  1  0.604766  0.781441  0.587622  1
