data_[Li6O3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_4]
_cell_length_a [16.0365]
_cell_length_b [16.0365]
_cell_length_c [8.9771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [172]
_chemical_formula_structural [Li2O]
_chemical_formula_sum '[Li6 O3]'
_cell_volume [1999.3351]
_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  6  0.0244  0.0730  0.0086  1
  O  O1  3  0.0000  0.0000  0.1752  1
]