# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16602315
_cell_length_b   11.55359597
_cell_length_c   46.81178365
_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   Zr54
_cell_volume   2794.01487062
_cell_formula_units_Z   54
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  0.251898  0.375517  0.280679  1
  Zr  Zr2  1  0.251898  0.907582  0.310732  1
  Zr  Zr3  1  0.251898  0.638345  0.294514  1
  Zr  Zr4  1  0.751898  0.330998  0.315924  1
  Zr  Zr5  1  0.751898  0.063180  0.299366  1
  Zr  Zr6  1  0.751898  0.793515  0.284195  1
  Zr  Zr7  1  0.251898  0.175805  0.327417  1
  Zr  Zr8  1  0.251898  0.714699  0.361099  1
  Zr  Zr9  1  0.251898  0.445501  0.344909  1
  Zr  Zr10  1  0.751898  0.139305  0.366334  1
  Zr  Zr11  1  0.751898  0.869904  0.349601  1
  Zr  Zr12  1  0.751898  0.599095  0.332422  1
  Zr  Zr13  1  0.251898  0.984060  0.377805  1
  Zr  Zr14  1  0.251898  0.522318  0.411359  1
  Zr  Zr15  1  0.251898  0.252752  0.394725  1
  Zr  Zr16  1  0.751898  0.947052  0.416298  1
  Zr  Zr17  1  0.751898  0.677638  0.399611  1
  Zr  Zr18  1  0.751898  0.408531  0.383223  1
  Zr  Zr19  1  0.251898  0.791442  0.427863  1
  Zr  Zr20  1  0.251898  0.329945  0.461433  1
  Zr  Zr21  1  0.251898  0.060523  0.444653  1
  Zr  Zr22  1  0.751898  0.755000  0.466396  1
  Zr  Zr23  1  0.751898  0.485693  0.449836  1
  Zr  Zr24  1  0.751898  0.216263  0.433146  1
  Zr  Zr25  1  0.251898  0.599313  0.478067  1
  Zr  Zr26  1  0.251898  0.137793  0.511447  1
  Zr  Zr27  1  0.251898  0.868509  0.494682  1
  Zr  Zr28  1  0.751898  0.562736  0.516533  1
  Zr  Zr29  1  0.751898  0.293540  0.499918  1
  Zr  Zr30  1  0.751898  0.024256  0.483153  1
  Zr  Zr31  1  0.251898  0.407049  0.528204  1
  Zr  Zr32  1  0.251898  0.945786  0.561454  1
  Zr  Zr33  1  0.251898  0.676356  0.544764  1
  Zr  Zr34  1  0.751898  0.370607  0.566737  1
  Zr  Zr35  1  0.751898  0.101526  0.549947  1
  Zr  Zr36  1  0.751898  0.832105  0.533167  1
  Zr  Zr37  1  0.251898  0.214997  0.578302  1
  Zr  Zr38  1  0.251898  0.753518  0.611377  1
  Zr  Zr39  1  0.251898  0.484411  0.594989  1
  Zr  Zr40  1  0.751898  0.177989  0.616795  1
  Zr  Zr41  1  0.751898  0.909297  0.599875  1
  Zr  Zr42  1  0.751898  0.639731  0.583241  1
  Zr  Zr43  1  0.251898  0.022744  0.628267  1
  Zr  Zr44  1  0.251898  0.562955  0.662178  1
  Zr  Zr45  1  0.251898  0.292145  0.644999  1
  Zr  Zr46  1  0.751898  0.986244  0.667183  1
  Zr  Zr47  1  0.751898  0.716549  0.649691  1
  Zr  Zr48  1  0.751898  0.447350  0.633501  1
  Zr  Zr49  1  0.251898  0.831051  0.678676  1
  Zr  Zr50  1  0.251898  0.368534  0.710405  1
  Zr  Zr51  1  0.251898  0.098869  0.695234  1
  Zr  Zr52  1  0.751898  0.786532  0.713921  1
  Zr  Zr53  1  0.751898  0.523704  0.700086  1
  Zr  Zr54  1  0.751898  0.254467  0.683868  1
