data_[Li15Zr9O24]
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 [R-3m]
_cell_length_a [6.2965]
_cell_length_b [6.2965]
_cell_length_c [15.0379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li5Zr3O8]
_chemical_formula_sum '[Li15 Zr9 O24]'
_cell_volume [516.3238]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1
  Li  Li1  3  -0.0000  -0.0000  0.5000  1
  Li  Li2  3  0.0000  0.0000  0.0000  1
  Zr  Zr3  9  0.0000  0.5000  0.5000  1
  O  O4  18  0.0127  0.5064  0.7547  1
  O  O5  6  0.0000  0.0000  0.2480  1
]