# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25236201
_cell_length_b   13.46442602
_cell_length_c   54.16149966
_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   2371.7963978
_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  1.094937  0.243635  0.278590  1
  Zr  Zr2  1  1.094937  -0.012310  0.226142  1
  Zr  Zr3  1  1.094937  0.614597  0.251708  1
  Zr  Zr4  1  0.594937  0.408260  0.248478  1
  Zr  Zr5  1  0.594937  0.191894  0.229244  1
  Zr  Zr6  1  0.594937  0.785178  0.223525  1
  Zr  Zr7  1  1.094937  0.096016  0.324586  1
  Zr  Zr8  1  1.094937  0.836880  0.271927  1
  Zr  Zr9  1  1.094937  0.467122  0.297792  1
  Zr  Zr10  1  0.594937  0.300432  0.327469  1
  Zr  Zr11  1  0.594937  0.041203  0.274918  1
  Zr  Zr12  1  0.594937  0.670208  0.301143  1
  Zr  Zr13  1  1.094937  0.948089  0.370955  1
  Zr  Zr14  1  1.094937  0.725658  0.350571  1
  Zr  Zr15  1  1.094937  0.355638  0.376767  1
  Zr  Zr16  1  0.594937  0.151879  0.373913  1
  Zr  Zr17  1  0.594937  0.892567  0.321490  1
  Zr  Zr18  1  0.594937  0.522536  0.347489  1
  Zr  Zr19  1  1.094937  0.836483  0.449442  1
  Zr  Zr20  1  1.094937  0.577995  0.396995  1
  Zr  Zr21  1  1.094937  0.207264  0.423265  1
  Zr  Zr22  1  0.594937  0.003566  0.420373  1
  Zr  Zr23  1  0.594937  0.781044  0.400013  1
  Zr  Zr24  1  0.594937  0.410950  0.426126  1
  Zr  Zr25  1  1.094937  0.688845  0.495875  1
  Zr  Zr26  1  1.094937  0.466323  0.475516  1
  Zr  Zr27  1  1.094937  0.058940  0.469763  1
  Zr  Zr28  1  0.594937  0.891895  0.498894  1
  Zr  Zr29  1  0.594937  0.633407  0.446447  1
  Zr  Zr30  1  0.594937  0.262626  0.472624  1
  Zr  Zr31  1  1.094937  0.577323  0.574399  1
  Zr  Zr32  1  1.094937  0.318011  0.521976  1
  Zr  Zr33  1  1.094937  0.947354  0.548400  1
  Zr  Zr34  1  0.594937  0.744232  0.545318  1
  Zr  Zr35  1  0.594937  0.521800  0.524934  1
  Zr  Zr36  1  0.594937  0.114251  0.519122  1
  Zr  Zr37  1  1.094937  0.428687  0.620971  1
  Zr  Zr38  1  1.094937  0.169458  0.568419  1
  Zr  Zr39  1  1.094937  0.799682  0.594745  1
  Zr  Zr40  1  0.594937  0.633010  0.623962  1
  Zr  Zr41  1  0.594937  0.373874  0.571303  1
  Zr  Zr42  1  0.594937  0.002768  0.598097  1
  Zr  Zr43  1  1.094937  0.277996  0.666645  1
  Zr  Zr44  1  1.094937  0.061630  0.647411  1
  Zr  Zr45  1  1.094937  0.684712  0.672364  1
  Zr  Zr46  1  0.594937  0.482200  0.669747  1
  Zr  Zr47  1  0.594937  0.226255  0.617299  1
  Zr  Zr48  1  0.594937  0.855293  0.644181  1
