data_[Rb4Cl4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.6201]
_cell_length_b [6.6201]
_cell_length_c [9.4060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [RbClF3]
_chemical_formula_sum '[Rb4 Cl4 F12]'
_cell_volume [412.2228]
_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  0.0000  0.5000  0.2500  1.0
  Cl  Cl1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.0000  0.0000  0.5000  1.0
  F  F3  8  0.1970  0.1970  0.5000  1.0
  F  F4  4  0.0000  0.0000  0.2005  1.0
]