data_[Tm3Sc6Mo3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.4820]
_cell_length_b [5.4820]
_cell_length_c [14.6489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TmSc2MoO6]
_chemical_formula_sum '[Tm3 Sc6 Mo3 O18]'
_cell_volume [381.2581]
_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  3  0.0000  0.0000  0.1936  1.0
  Sc  Sc1  3  0.0000  0.0000  0.4752  1.0
  Sc  Sc2  3  0.0000  0.0000  0.9819  1.0
  Mo  Mo3  3  0.0000  0.0000  0.6831  1.0
  O  O4  9  0.0130  0.3073  0.0834  1.0
  O  O5  9  0.0202  0.7142  0.5845  1.0
]