# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16979359
_cell_length_b   7.56717083
_cell_length_c   49.62670242
_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   Zr24
_cell_volume   1190.36442476
_cell_formula_units_Z   24
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  1.006063  0.169315  0.298004  1
  Zr  Zr2  1  0.506063  0.900333  0.336762  1
  Zr  Zr3  1  0.506063  0.844446  0.275661  1
  Zr  Zr4  1  1.006063  0.573182  0.310669  1
  Zr  Zr5  1  1.006063  0.633391  0.374848  1
  Zr  Zr6  1  0.506063  0.367434  0.413647  1
  Zr  Zr7  1  0.506063  0.308945  0.349673  1
  Zr  Zr8  1  1.006063  0.043125  0.388234  1
  Zr  Zr9  1  1.006063  0.100662  0.452259  1
  Zr  Zr10  1  0.506063  0.834254  0.490841  1
  Zr  Zr11  1  0.506063  0.776339  0.426719  1
  Zr  Zr12  1  1.006063  0.510095  0.465386  1
  Zr  Zr13  1  1.006063  0.567806  0.529442  1
  Zr  Zr14  1  0.506063  0.301562  0.568109  1
  Zr  Zr15  1  0.506063  0.243648  0.503987  1
  Zr  Zr16  1  1.006063  0.977239  0.542569  1
  Zr  Zr17  1  1.006063  0.034776  0.606595  1
  Zr  Zr18  1  0.506063  0.768957  0.645155  1
  Zr  Zr19  1  0.506063  0.710467  0.581181  1
  Zr  Zr20  1  1.006063  0.444510  0.619980  1
  Zr  Zr21  1  1.006063  0.504719  0.684159  1
  Zr  Zr22  1  0.506063  0.233455  0.719167  1
  Zr  Zr23  1  0.506063  0.177568  0.658066  1
  Zr  Zr24  1  1.006063  0.908586  0.696824  1
