data_[Li3Ta3Mo6O18]
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
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.3637]
_cell_length_b [5.3637]
_cell_length_c [15.0213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiTa(MoO3)2]
_chemical_formula_sum '[Li3 Ta3 Mo6 O18]'
_cell_volume [374.2571]
_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  0.2304  1.0
  Ta  Ta1  3  0.0000  0.0000  0.6795  1.0
  Mo  Mo2  3  0.0000  0.0000  0.4826  1.0
  Mo  Mo3  3  0.0000  0.0000  0.9847  1.0
  O  O4  9  0.0035  0.3273  0.7362  1.0
  O  O5  9  0.0042  0.7135  0.5842  1.0
]