data_[Er6Tm18O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.4946]
_cell_length_b [9.4946]
_cell_length_c [11.1821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [ErTm3O6]
_chemical_formula_sum '[Er6 Tm18 O36]'
_cell_volume [872.9878]
_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
[
  Er  Er0  3  0.0000  0.0000  0.0000  1.0
  Er  Er1  3  0.0000  0.0000  0.5000  1.0
  Tm  Tm2  18  0.0391  0.2655  0.7094  1.0
  O  O3  18  0.0254  0.2190  0.9022  1.0
  O  O4  18  0.0281  0.1882  0.3694  1.0
]