# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15674938
_cell_length_b   5.23368611
_cell_length_c   55.76206708
_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   Zr18
_cell_volume   921.269387827
_cell_formula_units_Z   18
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  0.112957  0.463472  0.264868  1
  Zr  Zr2  1  0.612957  0.463472  0.215146  1
  Zr  Zr3  1  0.112957  0.963472  0.296048  1
  Zr  Zr4  1  0.612957  0.963472  0.244231  1
  Zr  Zr5  1  0.112957  0.463472  0.366977  1
  Zr  Zr6  1  0.612957  0.463472  0.315466  1
  Zr  Zr7  1  0.112957  0.963472  0.396692  1
  Zr  Zr8  1  0.612957  0.963472  0.346582  1
  Zr  Zr9  1  0.112957  0.963472  0.450301  1
  Zr  Zr10  1  0.612957  0.463472  0.419705  1
  Zr  Zr11  1  0.112957  0.463472  0.523424  1
  Zr  Zr12  1  0.612957  0.463472  0.473314  1
  Zr  Zr13  1  0.112957  0.963472  0.554540  1
  Zr  Zr14  1  0.612957  0.963472  0.503029  1
  Zr  Zr15  1  0.112957  0.463472  0.625775  1
  Zr  Zr16  1  0.612957  0.463472  0.573958  1
  Zr  Zr17  1  0.112957  0.963472  0.654860  1
  Zr  Zr18  1  0.612957  0.963472  0.605139  1
