data_[Rb4V6F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1219]
_cell_length_b [6.6967]
_cell_length_c [5.6907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2V3F8]
_chemical_formula_sum '[Rb4 V6 F16]'
_cell_volume [471.6480]
_cell_formula_units_Z [2]
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  4  0.2217  0.5000  0.6707  1
  V  V1  4  0.0000  0.2545  0.0000  1
  V  V2  2  0.0000  0.0000  0.5000  1
  F  F3  8  0.0904  0.2157  0.3832  1
  F  F4  4  0.0845  0.0000  0.9013  1
  F  F5  4  0.0945  0.5000  0.9605  1
]