data_[Ag21Ir3F36]
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 [13.1234]
_cell_length_b [13.1234]
_cell_length_c [6.6259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ag7IrF12]
_chemical_formula_sum '[Ag21 Ir3 F36]'
_cell_volume [988.2508]
_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  0.0057  0.4269  0.3171  1
  Ag  Ag1  3  0.0000  0.0000  0.5000  1
  Ir  Ir2  3  0.0000  0.0000  0.0000  1
  F  F3  18  0.0188  0.8925  0.1845  1
  F  F4  18  0.0427  0.6095  0.2853  1
]