data_[La18Er6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.1123]
_cell_length_b [10.1123]
_cell_length_c [11.7644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La3ErO6]
_chemical_formula_sum '[La18 Er6 O36]'
_cell_volume [1041.8324]
_cell_formula_units_Z [6]
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
[
  La  La0  18  0.0386  0.7727  0.7090  1.0
  Er  Er1  3  0.0000  0.0000  0.0000  1.0
  Er  Er2  3  0.0000  0.0000  0.5000  1.0
  O  O3  18  0.0272  0.8429  0.3785  1.0
  O  O4  18  0.0313  0.8199  0.9055  1.0
]