# 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   60.06293606
_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   605.407024086
_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  0.540251  0.207112  1
  Zr  Zr2  1  0.040251  0.040251  0.245754  1
  Zr  Zr3  1  0.540251  0.540251  0.284145  1
  Zr  Zr4  1  0.040251  0.040251  0.322622  1
  Zr  Zr5  1  0.540251  0.540251  0.361093  1
  Zr  Zr6  1  0.040251  0.040251  0.399565  1
  Zr  Zr7  1  0.540251  0.540251  0.438036  1
  Zr  Zr8  1  0.040251  0.040251  0.476507  1
  Zr  Zr9  1  0.540251  0.540251  0.514978  1
  Zr  Zr10  1  0.040251  0.040251  0.553455  1
  Zr  Zr11  1  0.540251  0.540251  0.591847  1
  Zr  Zr12  1  0.040251  0.040251  0.630489  1
