data_[Li21Ta3O18]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.5802]
_cell_length_b [5.5802]
_cell_length_c [14.7070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li7TaO6]
_chemical_formula_sum '[Li21 Ta3 O18]'
_cell_volume [396.6028]
_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  0.0060  0.3894  0.1152  1.0
  Li  Li1  9  0.0164  0.7292  0.2186  1.0
  Li  Li2  3  0.0000  0.0000  0.6540  1.0
  Ta  Ta3  3  0.0000  0.0000  0.0014  1.0
  O  O4  9  0.0488  0.6762  0.7487  1.0
  O  O5  9  0.0557  0.3542  0.5861  1.0
]