# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50540037
_cell_length_b   4.50540037
_cell_length_c   50.94807710
_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   Zr20
_cell_volume   1034.1762936
_cell_formula_units_Z   20
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  1.005744  0.505744  0.287511  1
  Zr  Zr2  1  0.505744  1.005744  0.287511  1
  Zr  Zr3  1  1.005744  1.005744  0.332803  1
  Zr  Zr4  1  0.505744  0.505744  0.332803  1
  Zr  Zr5  1  1.005744  0.505744  0.378253  1
  Zr  Zr6  1  0.505744  1.005744  0.378253  1
  Zr  Zr7  1  1.005744  1.005744  0.423734  1
  Zr  Zr8  1  0.505744  0.505744  0.423734  1
  Zr  Zr9  1  1.005744  0.505744  0.469217  1
  Zr  Zr10  1  0.505744  1.005744  0.469217  1
  Zr  Zr11  1  1.005744  0.005744  0.514701  1
  Zr  Zr12  1  0.505744  0.505744  0.514701  1
  Zr  Zr13  1  1.005744  0.505744  0.560184  1
  Zr  Zr14  1  0.505744  1.005744  0.560184  1
  Zr  Zr15  1  1.005744  1.005744  0.605666  1
  Zr  Zr16  1  0.505744  0.505744  0.605666  1
  Zr  Zr17  1  1.005744  0.505744  0.651115  1
  Zr  Zr18  1  0.505744  1.005744  0.651115  1
  Zr  Zr19  1  1.005744  1.005744  0.696407  1
  Zr  Zr20  1  0.505744  0.505744  0.696407  1
