data_[Ag18Ir3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.2741]
_cell_length_b [10.2741]
_cell_length_c [10.0644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ag6IrF12]
_chemical_formula_sum '[Ag18 Ir3 F36]'
_cell_volume [920.0384]
_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
[
  Ag  Ag0  18  0.0362  0.2480  0.6481  1.0
  Ir  Ir1  3  0.0000  0.0000  0.0000  1.0
  F  F2  18  0.0174  0.2261  0.3932  1.0
  F  F3  18  0.0504  0.1797  0.8948  1.0
]