data_[Li6Y6Zr2O16]
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 [6.2266]
_cell_length_b [10.7089]
_cell_length_c [6.1261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [21]
_chemical_formula_structural [Li3Y3ZrO8]
_chemical_formula_sum '[Li6 Y6 Zr2 O16]'
_cell_volume [408.4886]
_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  0.7429  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Y  Y2  4  0.2500  0.2500  0.2470  1.0
  Y  Y3  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr4  2  0.0000  0.0000  0.0000  1.0
  O  O5  8  0.2252  0.0314  0.2569  1.0
  O  O6  4  0.0000  0.2042  0.0000  1.0
  O  O7  4  0.0000  0.2861  0.5000  1.0
]