# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07337204
_cell_length_b   7.93409459
_cell_length_c   47.89747908
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr36
_cell_volume   1829.06018577
_cell_formula_units_Z   36
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  0.510888  0.622299  0.293682  1
  Zr  Zr2  1  0.723325  0.050381  0.317772  1
  Zr  Zr3  1  0.899422  0.397817  0.285124  1
  Zr  Zr4  1  0.116320  0.834872  0.304987  1
  Zr  Zr5  1  0.947929  0.502637  0.344492  1
  Zr  Zr6  1  0.167726  0.945246  0.367300  1
  Zr  Zr7  1  0.336652  0.278023  0.327711  1
  Zr  Zr8  1  0.556766  0.721930  0.355784  1
  Zr  Zr9  1  0.385968  0.384432  0.391917  1
  Zr  Zr10  1  0.607591  0.830615  0.418249  1
  Zr  Zr11  1  0.775877  0.163031  0.380174  1
  Zr  Zr12  1  0.997831  0.609636  0.406076  1
  Zr  Zr13  1  0.826868  0.271965  0.443031  1
  Zr  Zr14  1  0.047559  0.716095  0.468418  1
  Zr  Zr15  1  0.217366  0.051548  0.430393  1
  Zr  Zr16  1  0.437027  0.493606  0.455219  1
  Zr  Zr17  1  0.267899  0.159539  0.493314  1
  Zr  Zr18  1  0.487460  0.601407  0.518215  1
  Zr  Zr19  1  0.657832  0.938049  0.481050  1
  Zr  Zr20  1  0.877393  0.379917  0.505951  1
  Zr  Zr21  1  0.708266  0.045849  0.544046  1
  Zr  Zr22  1  0.927926  0.487908  0.568872  1
  Zr  Zr23  1  0.097733  0.823361  0.530846  1
  Zr  Zr24  1  0.318425  0.267490  0.556234  1
  Zr  Zr25  1  0.147461  0.929820  0.593189  1
  Zr  Zr26  1  0.369415  0.376424  0.619091  1
  Zr  Zr27  1  0.537701  0.708841  0.581016  1
  Zr  Zr28  1  0.759325  0.155024  0.607348  1
  Zr  Zr29  1  0.588526  0.817525  0.643481  1
  Zr  Zr30  1  0.808640  0.261432  0.671554  1
  Zr  Zr31  1  0.977566  0.594209  0.631965  1
  Zr  Zr32  1  0.197364  0.036819  0.654773  1
  Zr  Zr33  1  0.028972  0.704583  0.694278  1
  Zr  Zr34  1  0.245871  0.141638  0.714141  1
  Zr  Zr35  1  0.421967  0.489075  0.681493  1
  Zr  Zr36  1  0.634404  0.917157  0.705583  1
