data_[Sc6V3Cu3O18]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.2550]
_cell_length_b [5.2550]
_cell_length_c [14.4968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Sc2VCuO6]
_chemical_formula_sum '[Sc6 V3 Cu3 O18]'
_cell_volume [346.6972]
_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  0.0186  1.0
  Sc  Sc1  3  0.0000  0.0000  0.5192  1.0
  V  V2  3  0.0000  0.0000  0.3183  1.0
  Cu  Cu3  3  0.0000  0.0000  0.7715  1.0
  O  O4  9  0.0274  0.3524  0.9292  1.0
  O  O5  9  0.0554  0.6812  0.0822  1.0
]