data_[Zr6O11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6300]
_cell_length_b [3.6436]
_cell_length_c [15.8211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Zr6O11]
_chemical_formula_sum '[Zr6 O11]'
_cell_volume [209.2575]
_cell_formula_units_Z [1]
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  Zr0  1  0.0000  0.5000  0.0758  1.0
  Zr  Zr1  1  0.0000  0.5000  0.4108  1.0
  Zr  Zr2  1  0.0000  0.5000  0.7461  1.0
  Zr  Zr3  1  0.5000  0.0000  0.2425  1.0
  Zr  Zr4  1  0.5000  0.0000  0.5784  1.0
  Zr  Zr5  1  0.5000  0.0000  0.9116  1.0
  O  O6  1  0.0000  0.0000  0.1372  1.0
  O  O7  1  0.0000  0.0000  0.3070  1.0
  O  O8  1  0.0000  0.0000  0.4754  1.0
  O  O9  1  0.0000  0.0000  0.6437  1.0
  O  O10  1  0.0000  0.0000  0.8117  1.0
  O  O11  1  0.5000  0.5000  0.0093  1.0
  O  O12  1  0.5000  0.5000  0.1776  1.0
  O  O13  1  0.5000  0.5000  0.3449  1.0
  O  O14  1  0.5000  0.5000  0.5124  1.0
  O  O15  1  0.5000  0.5000  0.6794  1.0
  O  O16  1  0.5000  0.5000  0.8463  1.0
]