# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16408621
_cell_length_b   6.56270060
_cell_length_c   49.87819783
_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   1363.05398749
_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  0.044879  0.863936  0.267049  1
  Zr  Zr2  1  0.544879  0.113936  0.298590  1
  Zr  Zr3  1  0.544879  0.613936  0.298590  1
  Zr  Zr4  1  0.044879  0.363936  0.267049  1
  Zr  Zr5  1  0.044879  0.363936  0.331808  1
  Zr  Zr6  1  0.544879  0.613936  0.365550  1
  Zr  Zr7  1  0.544879  0.113936  0.365550  1
  Zr  Zr8  1  0.044879  0.863936  0.331808  1
  Zr  Zr9  1  0.044879  0.863936  0.398862  1
  Zr  Zr10  1  0.544879  0.113936  0.432339  1
  Zr  Zr11  1  0.544879  0.613936  0.432339  1
  Zr  Zr12  1  0.044879  0.363936  0.398862  1
  Zr  Zr13  1  0.044879  0.363936  0.465766  1
  Zr  Zr14  1  0.544879  0.613936  0.499207  1
  Zr  Zr15  1  0.544879  0.113936  0.499207  1
  Zr  Zr16  1  0.044879  0.863936  0.465766  1
  Zr  Zr17  1  0.044879  0.863936  0.532635  1
  Zr  Zr18  1  0.544879  0.113936  0.566111  1
  Zr  Zr19  1  0.544879  0.613936  0.566111  1
  Zr  Zr20  1  0.044879  0.363936  0.532635  1
  Zr  Zr21  1  0.044879  0.363936  0.599423  1
  Zr  Zr22  1  0.544879  0.613936  0.633165  1
  Zr  Zr23  1  0.544879  0.113936  0.633165  1
  Zr  Zr24  1  0.044879  0.863936  0.599423  1
  Zr  Zr25  1  0.044879  0.863936  0.666383  1
  Zr  Zr26  1  0.544879  0.113936  0.697924  1
  Zr  Zr27  1  0.544879  0.613936  0.697924  1
  Zr  Zr28  1  0.044879  0.363936  0.666383  1
