# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18226384
_cell_length_b   5.17234497
_cell_length_c   47.19664763
_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   Zr16
_cell_volume   776.845793839
_cell_formula_units_Z   16
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  0.254080  0.752887  0.285114  1
  Zr  Zr2  1  0.754080  0.252887  0.303009  1
  Zr  Zr3  1  0.754080  0.752887  0.342581  1
  Zr  Zr4  1  0.254080  0.252887  0.361988  1
  Zr  Zr5  1  0.254080  0.752887  0.401407  1
  Zr  Zr6  1  0.754080  0.252887  0.421442  1
  Zr  Zr7  1  0.754080  0.752887  0.460622  1
  Zr  Zr8  1  0.254080  0.252887  0.480831  1
  Zr  Zr9  1  0.254080  0.752887  0.519939  1
  Zr  Zr10  1  0.754080  0.252887  0.540147  1
  Zr  Zr11  1  0.754080  0.752887  0.579328  1
  Zr  Zr12  1  0.254080  0.252887  0.599363  1
  Zr  Zr13  1  0.254080  0.752887  0.638781  1
  Zr  Zr14  1  0.754080  0.252887  0.658189  1
  Zr  Zr15  1  0.754080  0.752887  0.697761  1
  Zr  Zr16  1  0.254080  0.252887  0.715655  1
