data_[Sc18Mo3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [R-3]
_cell_length_a [9.3337]
_cell_length_b [9.3337]
_cell_length_c [8.8169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sc6MoO12]
_chemical_formula_sum '[Sc18 Mo3 O36]'
_cell_volume [665.2068]
_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
[
  Sc  Sc0  18  0.0319  0.2489  0.6383  1.0
  Mo  Mo1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0221  0.1848  0.8788  1.0
  O  O3  18  0.0236  0.2163  0.3943  1.0
]