# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20465947
_cell_length_b   7.61209538
_cell_length_c   49.66665855
_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   1211.57708775
_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  0.004059  0.149648  0.298478  1
  Zr  Zr2  1  0.504059  0.876873  0.337483  1
  Zr  Zr3  1  0.504059  0.825538  0.274705  1
  Zr  Zr4  1  0.004059  0.552816  0.311183  1
  Zr  Zr5  1  0.004059  0.608590  0.375892  1
  Zr  Zr6  1  0.504059  0.339178  0.414221  1
  Zr  Zr7  1  0.504059  0.287008  0.350241  1
  Zr  Zr8  1  0.004059  0.017304  0.388814  1
  Zr  Zr9  1  0.004059  0.069817  0.452726  1
  Zr  Zr10  1  0.504059  0.800167  0.491225  1
  Zr  Zr11  1  0.504059  0.747668  0.427377  1
  Zr  Zr12  1  0.004059  0.477917  0.465831  1
  Zr  Zr13  1  0.004059  0.530577  0.529719  1
  Zr  Zr14  1  0.504059  0.260826  0.568173  1
  Zr  Zr15  1  0.504059  0.208327  0.504325  1
  Zr  Zr16  1  0.004059  0.938677  0.542824  1
  Zr  Zr17  1  0.004059  0.991190  0.606736  1
  Zr  Zr18  1  0.504059  0.721486  0.645309  1
  Zr  Zr19  1  0.504059  0.669316  0.581329  1
  Zr  Zr20  1  0.004059  0.399904  0.619658  1
  Zr  Zr21  1  0.004059  0.455678  0.684367  1
  Zr  Zr22  1  0.504059  0.182956  0.720845  1
  Zr  Zr23  1  0.504059  0.131621  0.658067  1
  Zr  Zr24  1  0.004059  0.858846  0.697072  1
