data_[Mg3V6Ni3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [5.0602]
_cell_length_b [5.0602]
_cell_length_c [13.7681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [MgV2NiO6]
_chemical_formula_sum '[Mg3 V6 Ni3 O18]'
_cell_volume [305.3145]
_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
[
  Mg  Mg0  3  0.0000  0.0000  0.2072  1.0
  V  V1  3  0.0000  0.0000  0.4963  1.0
  V  V2  3  0.0000  0.0000  0.9983  1.0
  Ni  Ni3  3  0.0000  0.0000  0.7005  1.0
  O  O4  9  0.0165  0.3814  0.2634  1.0
  O  O5  9  0.0172  0.6325  0.7611  1.0
]