data_[Ba6Cu9Rh3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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-3m]
_cell_length_a [6.0730]
_cell_length_b [6.0730]
_cell_length_c [25.9186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Cu3RhF12]
_chemical_formula_sum '[Ba6 Cu9 Rh3 F36]'
_cell_volume [827.8485]
_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
[
  Ba  Ba0  6  0.0000  0.0000  0.3836  1.0
  Cu  Cu1  9  0.0000  0.5000  0.5000  1.0
  Rh  Rh2  3  0.0000  0.0000  0.0000  1.0
  F  F3  18  0.0040  0.5020  0.6270  1.0
  F  F4  18  0.0257  0.5128  0.8707  1.0
]