data_[Li10Zr2O8]
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/m]
_cell_length_a [13.1348]
_cell_length_b [3.1094]
_cell_length_c [6.0351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5ZrO4]
_chemical_formula_sum '[Li10 Zr2 O8]'
_cell_volume [242.6135]
_cell_formula_units_Z [2]
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  4  0.1622  0.0000  0.2826  1.0
  Li  Li1  4  0.1853  0.0000  0.8805  1.0
  Li  Li2  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr3  2  0.0000  0.5000  0.0000  1.0
  O  O4  4  0.0012  0.0000  0.2461  1.0
  O  O5  4  0.1624  0.5000  0.0728  1.0
]