data_[Li8Zr8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2383]
_cell_length_b [6.5692]
_cell_length_c [7.6993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2Zr2O5]
_chemical_formula_sum '[Li8 Zr8 O20]'
_cell_volume [426.1889]
_cell_formula_units_Z [4]
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
[
  Li  Li0  8  0.0144  0.1992  0.4555  1.0
  Zr  Zr1  8  0.2486  0.4707  0.1205  1.0
  O  O2  8  0.2203  0.1457  0.1295  1.0
  O  O3  4  0.0000  0.0225  0.7500  1.0
  O  O4  4  0.0000  0.5000  0.0000  1.0
  O  O5  4  0.2500  0.2500  0.5000  1.0
]