data_[V9Ni3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.0706]
_cell_length_b [5.0706]
_cell_length_c [13.9824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [V3NiO6]
_chemical_formula_sum '[V9 Ni3 O18]'
_cell_volume [311.3422]
_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
[
  V  V0  3  0.0000  0.0000  0.1498  1.0
  V  V1  3  0.0000  0.0000  0.3506  1.0
  V  V2  3  0.0000  0.0000  0.6510  1.0
  Ni  Ni3  3  0.0000  0.0000  0.8519  1.0
  O  O4  9  0.0006  0.6868  0.7479  1.0
  O  O5  9  0.0096  0.3040  0.2511  1.0
]