data_image0
_chemical_formula_structural       Zr2O6
_chemical_formula_sum              "Zr2 O6"
_cell_length_a       4.104407572896589
_cell_length_b       3.247372605233355
_cell_length_c       19.71271661033327
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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  0.6316211034009113  0.24999535584296229  0.5588579214000962  1.0000
  Zr  Zr2       1.0  0.13159694070509126  0.7500046548631221  0.44114201618672694  1.0000
  O   O1        1.0  0.1316124825339343  0.250003229900888  0.5166041252103117  1.0000
  O   O2        1.0  0.6316045504639056  0.7499967900434341  0.4833958448428635  1.0000
  O   O3        1.0  0.31279637248450876  0.25000745793433815  0.380465064671429  1.0000
  O   O4        1.0  0.4504232357936395  0.7499925558511589  0.6195349353116646  1.0000
  O   O5        1.0  0.9503526181596551  0.25000745177551303  0.38047485074017906  1.0000
  O   O6        1.0  0.8128647949173977  0.7499925496923336  0.6195249701706907  1.0000