data_[Li6Ag3Ir3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.4065]
_cell_length_b [6.4065]
_cell_length_c [17.6133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2AgIrCl6]
_chemical_formula_sum '[Li6 Ag3 Ir3 Cl18]'
_cell_volume [626.0510]
_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
[
  Li  Li0  3  0.0000  0.0000  0.0020  1.0
  Li  Li1  3  0.0000  0.0000  0.5217  1.0
  Ag  Ag2  3  0.0000  0.0000  0.8114  1.0
  Ir  Ir3  3  0.0000  0.0000  0.3301  1.0
  Cl  Cl4  9  0.0279  0.3510  0.9215  1.0
  Cl  Cl5  9  0.0511  0.6897  0.0779  1.0
]