data_[Zr3Sc3V6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [R3]
_cell_length_a [5.3279]
_cell_length_b [5.3279]
_cell_length_c [14.5014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [ZrScV2O6]
_chemical_formula_sum '[Zr3 Sc3 V6 O18]'
_cell_volume [356.4907]
_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
[
  Zr  Zr0  3  0.0000  0.0000  0.3102  1.0
  Sc  Sc1  3  0.0000  0.0000  0.8117  1.0
  V  V2  3  0.0000  0.0000  0.0172  1.0
  V  V3  3  0.0000  0.0000  0.5151  1.0
  O  O4  9  0.0036  0.7082  0.4194  1.0
  O  O5  9  0.0288  0.3520  0.5831  1.0
]