# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12890282
_cell_length_b   5.54619624
_cell_length_c   46.88887433
_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   Zr26
_cell_volume   1333.79630261
_cell_formula_units_Z   26
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  0.753777  0.359228  0.281208  1
  Zr  Zr2  1  0.253777  0.188158  0.309563  1
  Zr  Zr3  1  0.753777  0.849376  0.309568  1
  Zr  Zr4  1  0.253777  0.684320  0.342477  1
  Zr  Zr5  1  0.753777  0.340442  0.344920  1
  Zr  Zr6  1  0.253777  0.177290  0.377961  1
  Zr  Zr7  1  0.753777  0.838491  0.378213  1
  Zr  Zr8  1  0.253777  0.675633  0.412735  1
  Zr  Zr9  1  0.753777  0.338174  0.413552  1
  Zr  Zr10  1  0.253777  0.174358  0.447702  1
  Zr  Zr11  1  0.753777  0.837188  0.447930  1
  Zr  Zr12  1  0.253777  0.673984  0.482512  1
  Zr  Zr13  1  0.753777  0.336684  0.482833  1
  Zr  Zr14  1  0.253777  0.173296  0.517272  1
  Zr  Zr15  1  0.753777  0.835996  0.517593  1
  Zr  Zr16  1  0.253777  0.672792  0.552175  1
  Zr  Zr17  1  0.753777  0.335622  0.552403  1
  Zr  Zr18  1  0.253777  0.171806  0.586553  1
  Zr  Zr19  1  0.753777  0.834347  0.587370  1
  Zr  Zr20  1  0.253777  0.671490  0.621892  1
  Zr  Zr21  1  0.753777  0.332690  0.622144  1
  Zr  Zr22  1  0.253777  0.169538  0.655185  1
  Zr  Zr23  1  0.753777  0.825660  0.657628  1
  Zr  Zr24  1  0.253777  0.660604  0.690537  1
  Zr  Zr25  1  0.753777  0.321822  0.690542  1
  Zr  Zr26  1  0.253777  0.150752  0.718897  1
