data_[Rh4Cl4F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rh  2.2800  1.3500  0.7450
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.3155]
_cell_length_b [4.3155]
_cell_length_c [13.8167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [RhClF2]
_chemical_formula_sum '[Rh4 Cl4 F8]'
_cell_volume [257.3195]
_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
[
  Rh  Rh0  4  0.0000  0.0000  0.0000  1
  Cl  Cl1  4  0.0000  0.0000  0.5000  1
  F  F2  8  0.0729  0.2500  0.1250  1
]