data_[Er18Ta3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [9.7648]
_cell_length_b [9.7648]
_cell_length_c [9.2709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Er6TaO12]
_chemical_formula_sum '[Er18 Ta3 O36]'
_cell_volume [765.5589]
_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
[
  Er  Er0  18  0.0478  0.2597  0.6487  1.0
  Ta  Ta1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0357  0.2218  0.3998  1.0
  O  O3  18  0.0382  0.1930  0.8878  1.0
]