data_[Sc6Al3Mo3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.2614]
_cell_length_b [5.2614]
_cell_length_c [14.0679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Sc2AlMoO6]
_chemical_formula_sum '[Sc6 Al3 Mo3 O18]'
_cell_volume [337.2542]
_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  3  0.0000  0.0000  0.0244  1.0
  Sc  Sc1  3  0.0000  0.0000  0.5247  1.0
  Al  Al2  3  0.0000  0.0000  0.3167  1.0
  Mo  Mo3  3  0.0000  0.0000  0.8163  1.0
  O  O4  9  0.0001  0.3651  0.5837  1.0
  O  O5  9  0.0060  0.7172  0.4094  1.0
]