data_[Rb4V4F12]
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 [P2_1/c]
_cell_length_a [7.6416]
_cell_length_b [5.6448]
_cell_length_c [7.8149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbVF3]
_chemical_formula_sum '[Rb4 V4 F12]'
_cell_volume [333.5500]
_cell_formula_units_Z [4]
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  0.3856  0.2044  0.8149  1.0
  V  V1  4  0.0782  0.7423  0.4261  1.0
  F  F2  4  0.0566  0.5725  0.1703  1.0
  F  F3  4  0.1681  0.0817  0.0472  1.0
  F  F4  4  0.3428  0.6769  0.9111  1.0
]