# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54948900
_cell_length_b   6.04770595
_cell_length_c   49.50372758
_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   Zr32
_cell_volume   1661.42814596
_cell_formula_units_Z   32
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  0.331497  0.136542  0.316550  1
  Zr  Zr2  1  0.830260  0.275285  0.292350  1
  Zr  Zr3  1  0.177884  0.636542  0.316550  1
  Zr  Zr4  1  0.679121  0.775285  0.292350  1
  Zr  Zr5  1  0.334789  0.855159  0.372530  1
  Zr  Zr6  1  0.834551  0.995261  0.345271  1
  Zr  Zr7  1  0.174592  0.355159  0.372530  1
  Zr  Zr8  1  0.674830  0.495261  0.345271  1
  Zr  Zr9  1  0.336480  0.573459  0.428538  1
  Zr  Zr10  1  0.836691  0.713503  0.400834  1
  Zr  Zr11  1  0.172901  0.073459  0.428538  1
  Zr  Zr12  1  0.672689  0.213503  0.400834  1
  Zr  Zr13  1  0.336589  0.291636  0.484416  1
  Zr  Zr14  1  0.836658  0.432194  0.456579  1
  Zr  Zr15  1  0.172792  0.791636  0.484416  1
  Zr  Zr16  1  0.672723  0.932194  0.456579  1
  Zr  Zr17  1  0.336658  0.010024  0.540238  1
  Zr  Zr18  1  0.836589  0.150581  0.512401  1
  Zr  Zr19  1  0.172723  0.510024  0.540238  1
  Zr  Zr20  1  0.672792  0.650581  0.512401  1
  Zr  Zr21  1  0.336691  0.728714  0.595983  1
  Zr  Zr22  1  0.836480  0.868758  0.568279  1
  Zr  Zr23  1  0.172689  0.228714  0.595983  1
  Zr  Zr24  1  0.672901  0.368758  0.568279  1
  Zr  Zr25  1  0.334551  0.446957  0.651546  1
  Zr  Zr26  1  0.834789  0.587058  0.624288  1
  Zr  Zr27  1  0.174830  0.946957  0.651546  1
  Zr  Zr28  1  0.674592  0.087058  0.624288  1
  Zr  Zr29  1  0.330260  0.166933  0.704467  1
  Zr  Zr30  1  0.831497  0.305676  0.680267  1
  Zr  Zr31  1  0.179121  0.666933  0.704467  1
  Zr  Zr32  1  0.677884  0.805676  0.680267  1
