data_[Rb3V1F6]
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 [P-1]
_cell_length_a [6.3982]
_cell_length_b [6.5013]
_cell_length_c [6.5020]
_cell_angle_alpha [61.9418]
_cell_angle_beta [61.5205]
_cell_angle_gamma [60.5190]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb3VF6]
_chemical_formula_sum '[Rb3 V1 F6]'
_cell_volume [196.8868]
_cell_formula_units_Z [1]
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  2  0.2565  0.2408  0.2332  1.0
  Rb  Rb1  1  0.5000  0.5000  0.5000  1.0
  V  V2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1184  0.8287  0.2916  1.0
  F  F4  2  0.2461  0.7189  0.8686  1.0
  F  F5  2  0.2619  0.1640  0.8207  1.0
]