data_[Li8Y6Zr2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [6.3371]
_cell_length_b [9.6854]
_cell_length_c [6.3448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [21]
_chemical_formula_structural [Li4Y3ZrO8]
_chemical_formula_sum '[Li8 Y6 Zr2 O16]'
_cell_volume [389.4310]
_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  0.2500  0.2500  0.7473  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Li  Li2  2  0.0000  0.5000  0.0000  1.0
  Y  Y3  4  0.2500  0.2500  0.2485  1.0
  Y  Y4  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr5  2  0.0000  0.0000  0.0000  1.0
  O  O6  8  0.2448  0.0068  0.2415  1.0
  O  O7  4  0.0000  0.2293  0.0000  1.0
  O  O8  4  0.0000  0.2613  0.5000  1.0
]