# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17482980
_cell_length_b   3.17482980
_cell_length_c   64.65888530
_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   Zr12
_cell_volume   651.732097982
_cell_formula_units_Z   12
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  0.540251  0.109466  0.210632  1
  Zr  Zr2  1  0.040251  0.609466  0.174736  1
  Zr  Zr3  1  0.540251  0.109466  0.282036  1
  Zr  Zr4  1  0.040251  0.609466  0.246294  1
  Zr  Zr5  1  0.540251  0.109466  0.353510  1
  Zr  Zr6  1  0.040251  0.609466  0.317773  1
  Zr  Zr7  1  0.540251  0.109466  0.424983  1
  Zr  Zr8  1  0.040251  0.609466  0.389246  1
  Zr  Zr9  1  0.540251  0.109466  0.496461  1
  Zr  Zr10  1  0.040251  0.609466  0.460720  1
  Zr  Zr11  1  0.540251  0.109466  0.568019  1
  Zr  Zr12  1  0.040251  0.609466  0.532124  1
