# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20639418
_cell_length_b   5.13437255
_cell_length_c   47.76287151
_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   786.311664058
_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  0.254313  0.253241  0.284356  1
  Zr  Zr2  1  0.754313  0.753241  0.301951  1
  Zr  Zr3  1  0.754313  0.253241  0.340749  1
  Zr  Zr4  1  0.254313  0.753241  0.360750  1
  Zr  Zr5  1  0.254313  0.253241  0.399881  1
  Zr  Zr6  1  0.754313  0.753241  0.419767  1
  Zr  Zr7  1  0.754313  0.253241  0.458901  1
  Zr  Zr8  1  0.254313  0.753241  0.478889  1
  Zr  Zr9  1  0.254313  0.253241  0.517977  1
  Zr  Zr10  1  0.754313  0.753241  0.537964  1
  Zr  Zr11  1  0.754313  0.253241  0.577099  1
  Zr  Zr12  1  0.254313  0.753241  0.596984  1
  Zr  Zr13  1  0.254313  0.253241  0.636116  1
  Zr  Zr14  1  0.754313  0.753241  0.656116  1
  Zr  Zr15  1  0.754313  0.253241  0.694914  1
  Zr  Zr16  1  0.254313  0.753241  0.712510  1
