# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85094096
_cell_length_b   5.16358303
_cell_length_c   47.15075146
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.97264215
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr20
_cell_volume   1043.06385384
_cell_formula_units_Z   20
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  0.185525  0.120647  0.296667  1
  Zr  Zr2  1  0.858926  0.467634  0.316865  1
  Zr  Zr3  1  0.532984  0.815798  0.336063  1
  Zr  Zr4  1  0.213630  0.177058  0.360305  1
  Zr  Zr5  1  0.893662  0.537170  0.381158  1
  Zr  Zr6  1  0.571655  0.893172  0.402733  1
  Zr  Zr7  1  0.252014  0.253885  0.425445  1
  Zr  Zr8  1  0.930636  0.611163  0.446527  1
  Zr  Zr9  1  0.609609  0.969118  0.468480  1
  Zr  Zr10  1  0.289256  0.328417  0.490666  1
  Zr  Zr11  1  0.967849  0.685631  0.511901  1
  Zr  Zr12  1  0.647496  0.044930  0.534087  1
  Zr  Zr13  1  0.326468  0.402885  0.556039  1
  Zr  Zr14  1  0.005090  0.760163  0.577122  1
  Zr  Zr15  1  0.685449  0.120876  0.599834  1
  Zr  Zr16  1  0.363442  0.476878  0.621409  1
  Zr  Zr17  1  0.043474  0.836990  0.642262  1
  Zr  Zr18  1  0.724120  0.198250  0.666504  1
  Zr  Zr19  1  0.398179  0.546414  0.685702  1
  Zr  Zr20  1  0.071579  0.893401  0.705900  1
