# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19462284
_cell_length_b   5.53324907
_cell_length_c   46.84687113
_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   828.095458071
_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  0.559679  0.790309  0.291818  1
  Zr  Zr2  1  0.059679  0.290309  0.291818  1
  Zr  Zr3  1  0.559679  0.123643  0.346356  1
  Zr  Zr4  1  0.059679  0.623643  0.346356  1
  Zr  Zr5  1  0.559679  0.790309  0.402178  1
  Zr  Zr6  1  0.059679  0.290309  0.402178  1
  Zr  Zr7  1  0.559679  0.123643  0.457907  1
  Zr  Zr8  1  0.059679  0.623643  0.457907  1
  Zr  Zr9  1  0.559679  0.790309  0.513644  1
  Zr  Zr10  1  0.059679  0.290309  0.513644  1
  Zr  Zr11  1  0.559679  0.123643  0.569373  1
  Zr  Zr12  1  0.059679  0.623643  0.569373  1
  Zr  Zr13  1  0.559679  0.790309  0.625195  1
  Zr  Zr14  1  0.059679  0.290309  0.625195  1
  Zr  Zr15  1  0.559679  0.123643  0.679733  1
  Zr  Zr16  1  0.059679  0.623643  0.679733  1
