data_[Rb6V3Ni9F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3096]
_cell_length_b [7.3096]
_cell_length_c [18.4209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2VNi3F12]
_chemical_formula_sum '[Rb6 V3 Ni9 F36]'
_cell_volume [852.3745]
_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
[
  Rb  Rb0  6  0.0000  0.0000  0.3943  1.0
  V  V1  3  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  9  0.0000  0.5000  0.5000  1.0
  F  F3  18  0.0662  0.5331  0.8599  1.0
  F  F4  18  0.0859  0.5430  0.6107  1.0
]