data_[Tm18Re3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.7002]
_cell_length_b [9.7002]
_cell_length_c [9.2120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tm6ReO12]
_chemical_formula_sum '[Tm18 Re3 O36]'
_cell_volume [750.6710]
_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
[
  Tm  Tm0  18  0.0397  0.2529  0.6429  1.0
  Re  Re1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0310  0.2218  0.3992  1.0
  O  O3  18  0.0349  0.1859  0.8874  1.0
]