data_[Ce18Ta3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.1671]
_cell_length_b [10.1671]
_cell_length_c [9.7302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ce6TaO12]
_chemical_formula_sum '[Ce18 Ta3 O36]'
_cell_volume [871.0659]
_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
[
  Ce  Ce0  18  0.0484  0.2566  0.6527  1.0
  Ta  Ta1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0354  0.2250  0.4017  1.0
  O  O3  18  0.0389  0.1871  0.8918  1.0
]