# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11843072
_cell_length_b   14.72597661
_cell_length_c   49.25444503
_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   Zr60
_cell_volume   2987.17936815
_cell_formula_units_Z   60
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  0.050919  0.280067  0.321094  1
  Zr  Zr2  1  0.050919  0.980217  0.290018  1
  Zr  Zr3  1  0.050919  0.683974  0.264001  1
  Zr  Zr4  1  0.550919  0.127659  0.305903  1
  Zr  Zr5  1  0.550919  0.831550  0.276862  1
  Zr  Zr6  1  0.550919  0.429517  0.336083  1
  Zr  Zr7  1  0.550919  0.331550  0.276862  1
  Zr  Zr8  1  0.550919  0.929517  0.336083  1
  Zr  Zr9  1  0.550919  0.627659  0.305903  1
  Zr  Zr10  1  0.050919  0.183974  0.264001  1
  Zr  Zr11  1  0.050919  0.780067  0.321094  1
  Zr  Zr12  1  0.050919  0.480217  0.290018  1
  Zr  Zr13  1  0.050919  0.179243  0.412217  1
  Zr  Zr14  1  0.050919  0.879625  0.381825  1
  Zr  Zr15  1  0.050919  0.579297  0.351126  1
  Zr  Zr16  1  0.550919  0.029473  0.396916  1
  Zr  Zr17  1  0.550919  0.729585  0.366729  1
  Zr  Zr18  1  0.550919  0.329263  0.427475  1
  Zr  Zr19  1  0.550919  0.229585  0.366729  1
  Zr  Zr20  1  0.550919  0.829263  0.427475  1
  Zr  Zr21  1  0.550919  0.529473  0.396916  1
  Zr  Zr22  1  0.050919  0.079297  0.351126  1
  Zr  Zr23  1  0.050919  0.679243  0.412217  1
  Zr  Zr24  1  0.050919  0.379625  0.381825  1
  Zr  Zr25  1  0.050919  0.078769  0.503553  1
  Zr  Zr26  1  0.050919  0.778930  0.473113  1
  Zr  Zr27  1  0.050919  0.479180  0.442647  1
  Zr  Zr28  1  0.550919  0.928867  0.488318  1
  Zr  Zr29  1  0.550919  0.629028  0.457878  1
  Zr  Zr30  1  0.550919  0.228617  0.518784  1
  Zr  Zr31  1  0.550919  0.129028  0.457878  1
  Zr  Zr32  1  0.550919  0.728617  0.518784  1
  Zr  Zr33  1  0.550919  0.428867  0.488318  1
  Zr  Zr34  1  0.050919  0.979180  0.442647  1
  Zr  Zr35  1  0.050919  0.578769  0.503553  1
  Zr  Zr36  1  0.050919  0.278930  0.473113  1
  Zr  Zr37  1  0.050919  0.978212  0.594702  1
  Zr  Zr38  1  0.050919  0.678324  0.564516  1
  Zr  Zr39  1  0.050919  0.378534  0.533956  1
  Zr  Zr40  1  0.550919  0.828172  0.579607  1
  Zr  Zr41  1  0.550919  0.528554  0.549214  1
  Zr  Zr42  1  0.550919  0.128500  0.610305  1
  Zr  Zr43  1  0.550919  0.028554  0.549214  1
  Zr  Zr44  1  0.550919  0.628500  0.610305  1
  Zr  Zr45  1  0.550919  0.328172  0.579607  1
  Zr  Zr46  1  0.050919  0.878534  0.533956  1
  Zr  Zr47  1  0.050919  0.478212  0.594702  1
  Zr  Zr48  1  0.050919  0.178324  0.564516  1
  Zr  Zr49  1  0.050919  0.876247  0.684569  1
  Zr  Zr50  1  0.050919  0.580138  0.655529  1
  Zr  Zr51  1  0.050919  0.278280  0.625348  1
  Zr  Zr52  1  0.550919  0.727580  0.671413  1
  Zr  Zr53  1  0.550919  0.427730  0.640337  1
  Zr  Zr54  1  0.550919  0.023823  0.697430  1
  Zr  Zr55  1  0.550919  0.927730  0.640337  1
  Zr  Zr56  1  0.550919  0.523823  0.697430  1
  Zr  Zr57  1  0.550919  0.227580  0.671413  1
  Zr  Zr58  1  0.050919  0.778280  0.625348  1
  Zr  Zr59  1  0.050919  0.376247  0.684569  1
  Zr  Zr60  1  0.050919  0.080138  0.655529  1
