data_[Li3Ta3Al6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.0120]
_cell_length_b [5.0120]
_cell_length_c [13.4867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiTaAl2O6]
_chemical_formula_sum '[Li3 Ta3 Al6 O18]'
_cell_volume [293.4043]
_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  3  0.0000  0.0000  0.7988  1.0
  Ta  Ta1  3  0.0000  0.0000  0.3090  1.0
  Al  Al2  3  0.0000  0.0000  0.0206  1.0
  Al  Al3  3  0.0000  0.0000  0.5141  1.0
  O  O4  9  0.0317  0.3416  0.5890  1.0
  O  O5  9  0.0652  0.7109  0.0843  1.0
]