data_[Sc18V3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.2236]
_cell_length_b [9.2236]
_cell_length_c [8.7582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sc6VO12]
_chemical_formula_sum '[Sc18 V3 O36]'
_cell_volume [645.2802]
_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  0.0397  0.7846  0.6435  1.0
  V  V1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0281  0.8100  0.3965  1.0
  O  O3  18  0.0312  0.8431  0.8833  1.0
]