# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16815677
_cell_length_b   8.48812414
_cell_length_c   47.83159178
_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   Zr42
_cell_volume   2098.27417524
_cell_formula_units_Z   42
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  0.251691  0.146827  0.279741  1
  Zr  Zr2  1  0.251691  0.789506  0.300921  1
  Zr  Zr3  1  0.251691  0.435029  0.322931  1
  Zr  Zr4  1  0.751691  0.219259  0.315459  1
  Zr  Zr5  1  0.751691  0.932379  0.272730  1
  Zr  Zr6  1  0.751691  0.573869  0.293103  1
  Zr  Zr7  1  0.251691  0.077263  0.345602  1
  Zr  Zr8  1  0.251691  0.719240  0.367869  1
  Zr  Zr9  1  0.251691  0.362519  0.390080  1
  Zr  Zr10  1  0.751691  0.145599  0.382514  1
  Zr  Zr11  1  0.751691  0.860197  0.338013  1
  Zr  Zr12  1  0.751691  0.502653  0.360050  1
  Zr  Zr13  1  0.251691  0.005199  0.412271  1
  Zr  Zr14  1  0.251691  0.648031  0.434573  1
  Zr  Zr15  1  0.251691  0.290750  0.456788  1
  Zr  Zr16  1  0.751691  0.073682  0.449136  1
  Zr  Zr17  1  0.751691  0.788117  0.404604  1
  Zr  Zr18  1  0.751691  0.431084  0.426858  1
  Zr  Zr19  1  0.251691  0.933554  0.479037  1
  Zr  Zr20  1  0.251691  0.576295  0.501288  1
  Zr  Zr21  1  0.251691  0.219093  0.523520  1
  Zr  Zr22  1  0.751691  1.002020  0.515847  1
  Zr  Zr23  1  0.751691  0.716482  0.471365  1
  Zr  Zr24  1  0.751691  0.359279  0.493597  1
  Zr  Zr25  1  0.251691  0.861893  0.545749  1
  Zr  Zr26  1  0.251691  0.504491  0.568026  1
  Zr  Zr27  1  0.251691  0.147458  0.590280  1
  Zr  Zr28  1  0.751691  0.930375  0.582614  1
  Zr  Zr29  1  0.751691  0.644825  0.538097  1
  Zr  Zr30  1  0.751691  0.287544  0.560312  1
  Zr  Zr31  1  0.251691  0.789976  0.612371  1
  Zr  Zr32  1  0.251691  0.432921  0.634834  1
  Zr  Zr33  1  0.251691  0.075378  0.656872  1
  Zr  Zr34  1  0.751691  0.858312  0.649282  1
  Zr  Zr35  1  0.751691  0.573056  0.604805  1
  Zr  Zr36  1  0.751691  0.216335  0.627016  1
  Zr  Zr37  1  0.251691  0.716316  0.679426  1
  Zr  Zr38  1  0.251691  0.361706  0.701781  1
  Zr  Zr39  1  0.251691  1.003195  0.722155  1
  Zr  Zr40  1  0.751691  0.788748  0.715144  1
  Zr  Zr41  1  0.751691  0.500546  0.671954  1
  Zr  Zr42  1  0.751691  0.146069  0.693964  1
