data_[K6Rb2In4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.2381]
_cell_length_b [5.0896]
_cell_length_c [10.2141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Rb(InI3)2]
_chemical_formula_sum '[K6 Rb2 In4 I12]'
_cell_volume [1123.7875]
_cell_formula_units_Z [2]
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
[
  K  K0  4  0.1665  0.0000  0.8310  1.0
  Rb  Rb1  2  0.0000  0.5000  0.0000  1.0
  K  K2  2  0.0000  0.5000  0.5000  1.0
  In  In3  4  0.1682  0.0000  0.3346  1.0
  I  I4  4  0.0006  0.0000  0.2593  1.0
  I  I5  4  0.1680  0.5000  0.5805  1.0
  I  I6  4  0.1698  0.5000  0.0864  1.0
]