# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21127916
_cell_length_b   7.87979314
_cell_length_c   51.71257006
_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   Zr24
_cell_volume   1308.54601611
_cell_formula_units_Z   24
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  0.534119  0.145740  0.285008  1
  Zr  Zr2  1  0.534119  0.473193  0.251636  1
  Zr  Zr3  1  0.034119  0.480587  0.304393  1
  Zr  Zr4  1  0.034119  0.805456  0.268071  1
  Zr  Zr5  1  0.534119  0.480718  0.357875  1
  Zr  Zr6  1  0.534119  0.814825  0.321439  1
  Zr  Zr7  1  0.034119  0.814294  0.375418  1
  Zr  Zr8  1  0.034119  0.147061  0.339516  1
  Zr  Zr9  1  0.534119  0.814347  0.429322  1
  Zr  Zr10  1  0.534119  0.147369  0.393431  1
  Zr  Zr11  1  0.034119  0.147621  0.447258  1
  Zr  Zr12  1  0.034119  0.480978  0.411514  1
  Zr  Zr13  1  0.534119  0.147814  0.501017  1
  Zr  Zr14  1  0.534119  0.481171  0.465273  1
  Zr  Zr15  1  0.034119  0.481424  0.519100  1
  Zr  Zr16  1  0.034119  0.814445  0.483209  1
  Zr  Zr17  1  0.534119  0.481731  0.573016  1
  Zr  Zr18  1  0.534119  0.814498  0.537113  1
  Zr  Zr19  1  0.034119  0.813967  0.591092  1
  Zr  Zr20  1  0.034119  0.148075  0.554656  1
  Zr  Zr21  1  0.534119  0.823336  0.644460  1
  Zr  Zr22  1  0.534119  0.148205  0.608138  1
  Zr  Zr23  1  0.034119  0.155600  0.660895  1
  Zr  Zr24  1  0.034119  0.483053  0.627523  1
