data_[Rb4Ag4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8532]
_cell_length_b [8.0737]
_cell_length_c [8.5749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbAgI3]
_chemical_formula_sum '[Rb4 Ag4 I12]'
_cell_volume [847.4701]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  4  0.2244  0.5000  0.2205  1.0
  Ag  Ag1  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.0000  0.5000  0.5000  1.0
  I  I3  8  0.0411  0.2396  0.8099  1.0
  I  I4  4  0.2223  0.5000  0.6533  1.0
]