data_[Rb4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.6428]
_cell_length_b [6.8878]
_cell_length_c [9.6634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [RbF3]
_chemical_formula_sum '[Rb4 F12]'
_cell_volume [308.9702]
_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  2  0.0713  0.7678  0.6293  1.0
  Rb  Rb1  2  0.3967  0.7369  0.1239  1.0
  F  F2  2  0.0176  0.8668  0.3319  1.0
  F  F3  2  0.0360  0.9571  0.9280  1.0
  F  F4  2  0.2379  0.2980  0.1194  1.0
  F  F5  2  0.2497  0.2004  0.6292  1.0
  F  F6  2  0.4798  0.5373  0.4097  1.0
  F  F7  2  0.4911  0.6369  0.8300  1.0
]