# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19274006
_cell_length_b   7.96671412
_cell_length_c   54.37860656
_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   Zr28
_cell_volume   1383.15505961
_cell_formula_units_Z   28
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  0.560009  0.346401  0.265469  1
  Zr  Zr2  1  0.560009  0.976800  0.242823  1
  Zr  Zr3  1  1.060009  0.635435  0.237012  1
  Zr  Zr4  1  1.060009  0.271932  0.217984  1
  Zr  Zr5  1  0.560009  0.138040  0.343410  1
  Zr  Zr6  1  0.560009  0.715643  0.286405  1
  Zr  Zr7  1  1.060009  0.427663  0.315415  1
  Zr  Zr8  1  1.060009  0.056787  0.293116  1
  Zr  Zr9  1  0.560009  0.875586  0.387572  1
  Zr  Zr10  1  0.560009  0.506938  0.365646  1
  Zr  Zr11  1  1.060009  0.217998  0.393858  1
  Zr  Zr12  1  1.060009  0.795264  0.337154  1
  Zr  Zr13  1  0.560009  0.666779  0.466298  1
  Zr  Zr14  1  0.560009  0.298105  0.444264  1
  Zr  Zr15  1  1.060009  0.955573  0.437997  1
  Zr  Zr16  1  1.060009  0.586899  0.415962  1
  Zr  Zr17  1  0.560009  0.458414  0.545107  1
  Zr  Zr18  1  0.560009  0.035681  0.488403  1
  Zr  Zr19  1  1.060009  0.746740  0.516614  1
  Zr  Zr20  1  1.060009  0.378092  0.494688  1
  Zr  Zr21  1  0.560009  0.196891  0.589145  1
  Zr  Zr22  1  0.560009  0.826015  0.566846  1
  Zr  Zr23  1  1.060009  0.538035  0.595855  1
  Zr  Zr24  1  1.060009  0.115638  0.538850  1
  Zr  Zr25  1  0.560009  0.981746  0.664276  1
  Zr  Zr26  1  0.560009  0.618243  0.645249  1
  Zr  Zr27  1  1.060009  0.276878  0.639437  1
  Zr  Zr28  1  1.060009  0.907277  0.616792  1
