data_[Cu18Rh3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Rh  2.2800  1.3500  0.7450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.2409]
_cell_length_b [9.2409]
_cell_length_c [9.5616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cu6RhF12]
_chemical_formula_sum '[Cu18 Rh3 F36]'
_cell_volume [707.1185]
_cell_formula_units_Z [3]
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
[
  Cu  Cu0  18  0.0276  0.2508  0.6594  1
  Rh  Rh1  3  0.0000  0.0000  0.0000  1
  F  F2  18  0.0087  0.8204  0.1160  1
  F  F3  18  0.0106  0.2034  0.3693  1
]